REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3ihb_1_B DATA FIRST_RESID 1 DATA SEQUENCE MRHPIPDYLA SLVTELGAVN PGETAQYIPV LAEADPDRFG IALATPTGRL DATA SEQUENCE HCAGDADVEF TIQSASKPFT YAAALVDRGF AAVDRQVGLN PSGEAFNELS DATA SEQUENCE LEAESHRPDN AMINAGALAV HQLLVGPEAS RKERLDRAVE IMSLLAGRRL DATA SEQUENCE SVDWETYESE MAVSDRNLSL AHMLRSYGVL QDSAEEIVAG YVAQCAVLVT DATA SEQUENCE VKDLAVMGAC LATGGIHPMT GERMLPSIVA RRVVSVMTSS GMYDAAGQWL DATA SEQUENCE ADVGIPAKSG VAGGVLGALP GRVGIGVFSP RLDEVGNSAR GVLACRRLSE DATA SEQUENCE DFRLHLMDGD SLGGTAVRFV EREGDRVFLH LQGVIRFGGA EAVLDALTDL DATA SEQUENCE RTGAEKPGTG WDAAVYPRWQ EAAADRAALS AATGGGAVHE AAAAAARDEN DATA SEQUENCE DGPIRTVVLN LARVDRIDDV GRRLIAEGVR RLQADGVRVE VEDPERIL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.311 176.300 0.018 0.000 1.140 1 M CA 0.000 55.303 55.300 0.005 0.000 0.988 1 M CB 0.000 32.593 32.600 -0.012 0.000 1.302 2 R N 0.827 121.345 120.500 0.029 0.000 2.428 2 R HA 0.515 4.855 4.340 0.001 0.000 0.294 2 R C -0.544 175.800 176.300 0.075 0.000 1.000 2 R CA -0.758 55.380 56.100 0.063 0.000 0.960 2 R CB 0.926 31.266 30.300 0.066 0.000 1.076 2 R HN 0.783 nan 8.270 nan 0.000 0.475 3 H N 4.338 123.434 119.070 0.044 0.000 3.034 3 H HA 0.016 4.572 4.556 0.001 0.000 0.324 3 H C -1.488 173.849 175.328 0.014 0.000 1.015 3 H CA -1.234 54.834 56.048 0.033 0.000 1.429 3 H CB 1.371 31.180 29.762 0.078 0.000 1.429 3 H HN 0.561 nan 8.280 nan 0.000 0.585 4 P HA -0.093 nan 4.420 nan 0.000 0.231 4 P C 1.706 179.129 177.300 0.204 0.000 1.168 4 P CA 0.252 63.440 63.100 0.147 0.000 0.779 4 P CB 0.606 32.344 31.700 0.063 0.000 0.844 5 I N 1.159 121.870 120.570 0.236 0.000 2.163 5 I HA -0.130 4.040 4.170 0.001 0.000 0.243 5 I C -0.471 175.679 176.117 0.054 0.000 1.085 5 I CA 1.583 62.864 61.300 -0.032 0.000 1.347 5 I CB -2.745 34.849 38.000 -0.678 0.000 1.044 5 I HN 0.027 nan 8.210 nan 0.000 0.408 6 P HA -0.127 nan 4.420 nan 0.000 0.216 6 P C 1.150 178.518 177.300 0.114 0.000 1.150 6 P CA 1.398 64.564 63.100 0.110 0.000 0.837 6 P CB -0.006 31.774 31.700 0.133 0.000 0.786 7 D N -1.977 118.495 120.400 0.121 0.000 2.178 7 D HA -0.176 4.464 4.640 0.001 0.000 0.202 7 D C 1.825 178.182 176.300 0.094 0.000 0.974 7 D CA 1.003 55.057 54.000 0.091 0.000 0.841 7 D CB -0.798 40.054 40.800 0.088 0.000 0.953 7 D HN 0.245 nan 8.370 nan 0.000 0.478 8 Y N 1.525 121.860 120.300 0.058 0.000 2.181 8 Y HA -0.157 4.394 4.550 0.001 0.000 0.288 8 Y C 2.142 178.057 175.900 0.026 0.000 1.146 8 Y CA 1.307 59.444 58.100 0.062 0.000 1.164 8 Y CB -0.297 38.264 38.460 0.168 0.000 0.982 8 Y HN -0.109 nan 8.280 nan 0.000 0.515 9 L N -0.301 121.010 121.223 0.147 0.000 2.093 9 L HA -0.170 4.171 4.340 0.001 0.000 0.208 9 L C 2.796 179.604 176.870 -0.104 0.000 1.085 9 L CA 1.038 55.899 54.840 0.035 0.000 0.755 9 L CB -0.962 41.167 42.059 0.116 0.000 0.904 9 L HN 0.335 nan 8.230 nan 0.000 0.435 10 A N -0.497 122.283 122.820 -0.066 0.000 1.898 10 A HA -0.164 4.157 4.320 0.001 0.000 0.216 10 A C 2.512 180.021 177.584 -0.125 0.000 1.181 10 A CA 1.960 53.945 52.037 -0.085 0.000 0.620 10 A CB -0.520 18.459 19.000 -0.034 0.000 0.819 10 A HN 0.366 nan 8.150 nan 0.000 0.442 11 S N -0.448 115.163 115.700 -0.148 0.000 2.368 11 S HA -0.118 4.353 4.470 0.001 0.000 0.224 11 S C 1.831 176.301 174.600 -0.217 0.000 1.029 11 S CA 1.367 59.466 58.200 -0.170 0.000 0.988 11 S CB -0.402 62.682 63.200 -0.193 0.000 0.838 11 S HN 0.419 nan 8.310 nan 0.000 0.462 12 L N 1.819 122.849 121.223 -0.323 0.000 2.046 12 L HA -0.031 4.309 4.340 0.001 0.000 0.208 12 L C 2.236 178.992 176.870 -0.190 0.000 1.077 12 L CA 1.421 56.092 54.840 -0.283 0.000 0.747 12 L CB -0.701 41.155 42.059 -0.339 0.000 0.896 12 L HN 0.118 nan 8.230 nan 0.000 0.432 13 V N -1.023 118.717 119.914 -0.290 0.000 2.343 13 V HA -0.313 3.807 4.120 0.001 0.000 0.247 13 V C 2.395 178.407 176.094 -0.137 0.000 1.051 13 V CA 2.278 64.315 62.300 -0.438 0.000 1.036 13 V CB -0.855 30.695 31.823 -0.456 0.000 0.654 13 V HN 0.520 nan 8.190 nan 0.000 0.451 14 T N -1.106 113.391 114.554 -0.094 0.000 2.904 14 T HA -0.138 4.213 4.350 0.001 0.000 0.267 14 T C 1.804 176.503 174.700 -0.002 0.000 1.059 14 T CA 1.358 63.440 62.100 -0.030 0.000 1.137 14 T CB -0.002 68.842 68.868 -0.040 0.000 0.879 14 T HN 0.598 nan 8.240 nan 0.000 0.467 15 E N 0.912 121.098 120.200 -0.023 0.000 2.008 15 E HA -0.032 4.319 4.350 0.001 0.000 0.191 15 E C 2.029 178.653 176.600 0.040 0.000 0.986 15 E CA 0.792 57.186 56.400 -0.010 0.000 0.807 15 E CB -0.114 29.557 29.700 -0.048 0.000 0.766 15 E HN 0.385 nan 8.360 nan 0.000 0.450 16 L N 0.104 121.384 121.223 0.096 0.000 2.275 16 L HA 0.001 4.341 4.340 0.001 0.000 0.215 16 L C 2.340 179.323 176.870 0.189 0.000 1.119 16 L CA 0.717 55.650 54.840 0.154 0.000 0.790 16 L CB -0.310 41.902 42.059 0.254 0.000 0.919 16 L HN 0.247 nan 8.230 nan 0.000 0.443 17 G N -0.393 108.569 108.800 0.270 0.000 2.776 17 G HA2 0.009 3.969 3.960 0.001 0.000 0.209 17 G HA3 0.009 3.969 3.960 0.001 0.000 0.209 17 G C 1.621 176.575 174.900 0.091 0.000 1.145 17 G CA 0.574 45.823 45.100 0.248 0.000 0.791 17 G HN 0.420 nan 8.290 nan 0.000 0.530 18 A N -0.341 122.513 122.820 0.056 0.000 2.121 18 A HA 0.417 4.737 4.320 0.001 0.000 0.218 18 A C 1.168 178.755 177.584 0.005 0.000 1.154 18 A CA 1.382 53.432 52.037 0.023 0.000 0.679 18 A CB -0.234 18.774 19.000 0.013 0.000 0.795 18 A HN 0.893 nan 8.150 nan 0.000 0.458 19 V N -4.739 115.171 119.914 -0.006 0.000 3.182 19 V HA 0.756 4.876 4.120 0.001 0.000 0.308 19 V C -0.912 175.143 176.094 -0.065 0.000 1.240 19 V CA -1.110 61.172 62.300 -0.030 0.000 1.063 19 V CB 1.972 33.776 31.823 -0.030 0.000 1.076 19 V HN 0.054 nan 8.190 nan 0.000 0.446 20 N N 1.924 120.580 118.700 -0.075 0.000 2.700 20 N HA 0.422 5.163 4.740 0.001 0.000 0.242 20 N C -2.664 172.790 175.510 -0.094 0.000 1.541 20 N CA -0.679 52.304 53.050 -0.111 0.000 0.764 20 N CB 1.001 39.426 38.487 -0.104 0.000 1.319 20 N HN 0.843 nan 8.380 nan 0.000 0.518 21 P HA 0.509 nan 4.420 nan 0.000 0.274 21 P C 0.643 177.899 177.300 -0.074 0.000 1.256 21 P CA 0.431 63.491 63.100 -0.066 0.000 0.795 21 P CB 0.727 32.395 31.700 -0.054 0.000 1.038 22 G N -0.395 108.373 108.800 -0.055 0.000 2.548 22 G HA2 -0.058 3.902 3.960 0.001 0.000 0.208 22 G HA3 -0.058 3.902 3.960 0.001 0.000 0.208 22 G C -1.241 173.630 174.900 -0.047 0.000 1.308 22 G CA 0.034 45.103 45.100 -0.052 0.000 0.924 22 G HN 0.887 nan 8.290 nan 0.000 0.540 23 E N -1.119 119.055 120.200 -0.043 0.000 2.375 23 E HA 0.563 4.914 4.350 0.001 0.000 0.280 23 E C 0.405 176.987 176.600 -0.030 0.000 0.972 23 E CA -0.107 56.274 56.400 -0.032 0.000 0.782 23 E CB 1.323 31.013 29.700 -0.016 0.000 1.229 23 E HN 1.127 nan 8.360 nan 0.000 0.439 24 T N 0.105 114.642 114.554 -0.028 0.000 2.860 24 T HA 0.480 4.830 4.350 0.001 0.000 0.299 24 T C 0.603 175.305 174.700 0.002 0.000 1.045 24 T CA -0.267 61.818 62.100 -0.025 0.000 1.071 24 T CB 1.132 69.986 68.868 -0.025 0.000 0.985 24 T HN 0.556 nan 8.240 nan 0.000 0.537 25 A N 2.368 125.189 122.820 0.002 0.000 2.537 25 A HA 0.142 4.463 4.320 0.001 0.000 0.260 25 A C 1.473 179.067 177.584 0.017 0.000 1.082 25 A CA -0.444 51.610 52.037 0.028 0.000 0.765 25 A CB -0.118 18.840 19.000 -0.070 0.000 1.019 25 A HN 0.840 nan 8.150 nan 0.000 0.507 26 Q N 1.844 121.711 119.800 0.112 0.000 2.302 26 Q HA -0.084 4.256 4.340 0.001 0.000 0.202 26 Q C 1.108 177.185 176.000 0.128 0.000 0.936 26 Q CA 1.452 57.311 55.803 0.093 0.000 0.886 26 Q CB -0.256 28.535 28.738 0.088 0.000 0.986 26 Q HN 1.094 nan 8.270 nan 0.000 0.487 27 Y N -0.558 119.737 120.300 -0.009 0.000 2.506 27 Y HA 0.378 4.928 4.550 0.001 0.000 0.335 27 Y C -0.078 175.817 175.900 -0.008 0.000 1.218 27 Y CA -0.251 57.844 58.100 -0.008 0.000 1.260 27 Y CB -0.382 38.073 38.460 -0.009 0.000 1.085 27 Y HN -0.162 nan 8.280 nan 0.000 0.495 28 I N 1.839 122.342 120.570 -0.113 0.000 2.654 28 I HA 0.143 4.313 4.170 0.001 0.000 0.282 28 I C -1.891 174.178 176.117 -0.080 0.000 1.258 28 I CA -1.907 59.311 61.300 -0.136 0.000 1.088 28 I CB 2.263 40.106 38.000 -0.262 0.000 1.316 28 I HN -0.246 nan 8.210 nan 0.000 0.448 29 P HA -0.209 nan 4.420 nan 0.000 0.216 29 P C 1.628 178.917 177.300 -0.019 0.000 1.150 29 P CA 1.270 64.358 63.100 -0.020 0.000 0.843 29 P CB 0.746 32.441 31.700 -0.008 0.000 0.787 30 V N -0.329 119.570 119.914 -0.025 0.000 2.490 30 V HA -0.178 3.943 4.120 0.001 0.000 0.250 30 V C 2.469 178.557 176.094 -0.010 0.000 1.061 30 V CA 1.509 63.803 62.300 -0.011 0.000 1.064 30 V CB -0.945 30.872 31.823 -0.009 0.000 0.670 30 V HN -0.021 nan 8.190 nan 0.000 0.461 31 L N -0.422 120.780 121.223 -0.036 0.000 2.249 31 L HA 0.137 4.477 4.340 0.001 0.000 0.207 31 L C 2.732 179.588 176.870 -0.023 0.000 1.090 31 L CA 1.022 55.843 54.840 -0.030 0.000 0.802 31 L CB -0.785 41.226 42.059 -0.080 0.000 0.947 31 L HN 0.375 nan 8.230 nan 0.000 0.453 32 A N 0.429 123.231 122.820 -0.030 0.000 1.902 32 A HA -0.196 4.124 4.320 0.001 0.000 0.217 32 A C 1.853 179.434 177.584 -0.004 0.000 1.181 32 A CA 1.559 53.587 52.037 -0.014 0.000 0.623 32 A CB -0.306 18.689 19.000 -0.008 0.000 0.818 32 A HN 0.420 nan 8.150 nan 0.000 0.443 33 E N -0.263 119.937 120.200 -0.000 0.000 2.419 33 E HA 0.432 4.783 4.350 0.001 0.000 0.190 33 E C 0.342 176.950 176.600 0.014 0.000 1.040 33 E CA -0.073 56.331 56.400 0.006 0.000 0.900 33 E CB 0.265 29.970 29.700 0.007 0.000 1.054 33 E HN 0.597 nan 8.360 nan 0.000 0.462 34 A N 1.494 124.325 122.820 0.019 0.000 2.425 34 A HA 0.031 4.352 4.320 0.001 0.000 0.242 34 A C 0.042 177.644 177.584 0.030 0.000 1.077 34 A CA -0.408 51.652 52.037 0.039 0.000 0.781 34 A CB 0.296 19.333 19.000 0.062 0.000 1.020 34 A HN 0.132 nan 8.150 nan 0.000 0.494 35 D N 1.688 122.114 120.400 0.045 0.000 2.382 35 D HA 0.144 4.784 4.640 0.001 0.000 0.259 35 D C -1.203 175.100 176.300 0.005 0.000 1.224 35 D CA -1.304 52.715 54.000 0.030 0.000 0.894 35 D CB 0.775 41.604 40.800 0.049 0.000 1.127 35 D HN 0.214 nan 8.370 nan 0.000 0.487 36 P HA -0.030 nan 4.420 nan 0.000 0.236 36 P C 0.009 177.259 177.300 -0.085 0.000 1.177 36 P CA 0.209 63.268 63.100 -0.069 0.000 0.773 36 P CB 0.330 31.995 31.700 -0.059 0.000 0.878 37 D N 1.154 121.529 120.400 -0.042 0.000 2.631 37 D HA 0.166 4.806 4.640 0.001 0.000 0.227 37 D C -0.270 176.025 176.300 -0.009 0.000 1.146 37 D CA -0.115 53.868 54.000 -0.027 0.000 1.009 37 D CB -0.390 40.410 40.800 -0.001 0.000 1.057 37 D HN 0.055 nan 8.370 nan 0.000 0.509 38 R N 1.385 121.847 120.500 -0.063 0.000 2.668 38 R HA 0.526 4.867 4.340 0.001 0.000 0.272 38 R C -1.521 174.735 176.300 -0.073 0.000 1.019 38 R CA -0.905 55.174 56.100 -0.035 0.000 0.894 38 R CB 1.960 32.250 30.300 -0.015 0.000 1.228 38 R HN 0.066 nan 8.270 nan 0.000 0.460 39 F N 0.765 120.635 119.950 -0.133 0.000 2.911 39 F HA 0.558 5.085 4.527 0.000 0.000 0.349 39 F C -1.301 174.520 175.800 0.035 0.000 1.222 39 F CA -0.691 57.238 58.000 -0.119 0.000 1.164 39 F CB 1.716 40.660 39.000 -0.094 0.000 1.454 39 F HN 0.614 nan 8.300 nan 0.000 0.616 40 G N 4.727 113.732 108.800 0.342 0.000 2.642 40 G HA2 0.791 4.752 3.960 0.001 0.000 0.293 40 G HA3 0.791 4.752 3.960 0.001 0.000 0.293 40 G C -2.123 172.864 174.900 0.145 0.000 1.341 40 G CA -0.957 44.240 45.100 0.163 0.000 0.916 40 G HN 0.820 nan 8.290 nan 0.000 0.474 41 I N -0.241 120.371 120.570 0.070 0.000 2.743 41 I HA 0.664 4.834 4.170 0.001 0.000 0.292 41 I C -0.992 175.188 176.117 0.106 0.000 1.343 41 I CA -0.788 60.575 61.300 0.105 0.000 1.038 41 I CB 1.916 39.946 38.000 0.051 0.000 1.311 41 I HN 0.920 nan 8.210 nan 0.000 0.426 42 A N 7.477 130.377 122.820 0.132 0.000 2.469 42 A HA 0.934 5.254 4.320 0.001 0.000 0.299 42 A C -1.944 175.714 177.584 0.124 0.000 1.098 42 A CA -0.614 51.492 52.037 0.115 0.000 0.737 42 A CB 1.964 21.020 19.000 0.093 0.000 1.312 42 A HN 0.637 nan 8.150 nan 0.000 0.414 43 L N 0.633 121.924 121.223 0.115 0.000 2.436 43 L HA 0.727 5.067 4.340 0.001 0.000 0.268 43 L C -0.128 176.772 176.870 0.051 0.000 0.974 43 L CA -0.693 54.215 54.840 0.113 0.000 0.826 43 L CB 2.208 44.366 42.059 0.166 0.000 1.291 43 L HN 0.862 nan 8.230 nan 0.000 0.406 44 A N 1.411 124.250 122.820 0.032 0.000 2.319 44 A HA 0.715 5.035 4.320 0.001 0.000 0.310 44 A C 0.018 177.599 177.584 -0.004 0.000 1.152 44 A CA -0.499 51.529 52.037 -0.015 0.000 0.783 44 A CB 1.238 20.228 19.000 -0.017 0.000 1.184 44 A HN 0.688 nan 8.150 nan 0.000 0.474 45 T N 0.483 115.024 114.554 -0.022 0.000 2.849 45 T HA 0.473 4.823 4.350 0.001 0.000 0.284 45 T C -1.893 172.803 174.700 -0.006 0.000 1.004 45 T CA -1.429 60.671 62.100 -0.001 0.000 1.021 45 T CB 0.831 69.704 68.868 0.009 0.000 1.013 45 T HN 0.239 nan 8.240 nan 0.000 0.527 46 P HA -0.048 nan 4.420 nan 0.000 0.218 46 P C 1.643 178.948 177.300 0.009 0.000 1.149 46 P CA 1.192 64.295 63.100 0.004 0.000 0.817 46 P CB -0.191 31.515 31.700 0.010 0.000 0.785 47 T N -5.614 108.946 114.554 0.011 0.000 3.014 47 T HA 0.261 4.611 4.350 0.001 0.000 0.263 47 T C 1.491 176.199 174.700 0.015 0.000 1.078 47 T CA 0.928 63.038 62.100 0.016 0.000 1.135 47 T CB -0.423 68.457 68.868 0.019 0.000 0.895 47 T HN 0.208 nan 8.240 nan 0.000 0.480 48 G N 0.862 109.663 108.800 0.001 0.000 2.276 48 G HA2 -0.036 3.924 3.960 0.001 0.000 0.177 48 G HA3 -0.036 3.924 3.960 0.001 0.000 0.177 48 G C -0.131 174.743 174.900 -0.043 0.000 1.017 48 G CA -0.869 44.230 45.100 -0.002 0.000 0.750 48 G HN 0.385 nan 8.290 nan 0.000 0.506 49 R N -0.203 120.244 120.500 -0.087 0.000 2.536 49 R HA 0.786 5.126 4.340 0.001 0.000 0.279 49 R C -0.818 175.290 176.300 -0.319 0.000 1.001 49 R CA -0.979 54.995 56.100 -0.209 0.000 1.027 49 R CB 1.686 31.845 30.300 -0.235 0.000 1.096 49 R HN 0.375 nan 8.270 nan 0.000 0.502 50 L N 3.175 124.145 121.223 -0.422 0.000 2.415 50 L HA 0.330 4.671 4.340 0.001 0.000 0.268 50 L C -1.125 175.507 176.870 -0.396 0.000 0.984 50 L CA -0.261 54.381 54.840 -0.331 0.000 0.853 50 L CB 0.786 42.760 42.059 -0.142 0.000 1.215 50 L HN 0.500 nan 8.230 nan 0.000 0.419 51 H N 3.991 123.033 119.070 -0.046 0.000 2.458 51 H HA 0.738 5.294 4.556 0.001 0.000 0.330 51 H C -0.162 175.171 175.328 0.009 0.000 1.111 51 H CA -0.319 55.705 56.048 -0.041 0.000 1.245 51 H CB 1.585 31.302 29.762 -0.075 0.000 1.456 51 H HN 0.865 nan 8.280 nan 0.000 0.488 52 C N 0.739 120.115 119.300 0.127 0.000 3.336 52 C HA 0.989 5.449 4.460 0.001 0.000 0.339 52 C C -0.732 174.296 174.990 0.064 0.000 1.468 52 C CA -0.588 58.483 59.018 0.088 0.000 1.287 52 C CB 1.112 28.890 27.740 0.062 0.000 1.682 52 C HN 1.070 nan 8.230 nan 0.000 0.451 53 A N -0.019 122.820 122.820 0.033 0.000 2.597 53 A HA 0.968 5.289 4.320 0.001 0.000 0.292 53 A C 0.144 177.709 177.584 -0.032 0.000 1.057 53 A CA 0.875 52.908 52.037 -0.006 0.000 0.674 53 A CB 0.275 19.252 19.000 -0.040 0.000 1.278 53 A HN 3.301 nan 8.150 nan 0.000 0.416 54 G N 0.543 109.322 108.800 -0.035 0.000 2.601 54 G HA2 -0.133 3.827 3.960 0.001 0.000 0.252 54 G HA3 -0.133 3.827 3.960 0.001 0.000 0.252 54 G C -0.309 174.626 174.900 0.060 0.000 1.294 54 G CA 0.238 45.326 45.100 -0.020 0.000 0.912 54 G HN 1.150 nan 8.290 nan 0.000 0.574 55 D N 1.633 122.107 120.400 0.124 0.000 2.826 55 D HA 0.319 4.959 4.640 0.001 0.000 0.229 55 D C 1.473 177.922 176.300 0.248 0.000 1.091 55 D CA 0.849 54.972 54.000 0.204 0.000 1.061 55 D CB -0.300 40.682 40.800 0.303 0.000 1.155 55 D HN 0.865 nan 8.370 nan 0.000 0.450 56 A N 0.347 123.262 122.820 0.157 0.000 2.302 56 A HA -0.022 4.299 4.320 0.001 0.000 0.219 56 A C 1.235 178.876 177.584 0.094 0.000 1.243 56 A CA 0.180 52.306 52.037 0.148 0.000 0.856 56 A CB 0.385 19.448 19.000 0.105 0.000 0.893 56 A HN 0.086 nan 8.150 nan 0.000 0.491 57 D N -0.639 119.809 120.400 0.080 0.000 2.500 57 D HA 0.172 4.813 4.640 0.001 0.000 0.217 57 D C -0.415 175.889 176.300 0.007 0.000 1.159 57 D CA 0.249 54.266 54.000 0.027 0.000 0.828 57 D CB 1.053 41.868 40.800 0.025 0.000 1.039 57 D HN 0.120 nan 8.370 nan 0.000 0.512 58 V N 2.196 122.133 119.914 0.038 0.000 2.461 58 V HA 0.104 4.225 4.120 0.001 0.000 0.275 58 V C 0.640 176.653 176.094 -0.135 0.000 1.047 58 V CA -0.396 61.913 62.300 0.015 0.000 0.955 58 V CB 1.542 33.460 31.823 0.157 0.000 0.988 58 V HN -0.056 nan 8.190 nan 0.000 0.471 59 E N 4.711 124.814 120.200 -0.161 0.000 2.331 59 E HA 0.562 4.912 4.350 0.001 0.000 0.272 59 E C -0.938 175.496 176.600 -0.277 0.000 1.036 59 E CA -0.122 56.082 56.400 -0.326 0.000 0.864 59 E CB 1.270 30.829 29.700 -0.236 0.000 1.035 59 E HN 0.602 nan 8.360 nan 0.000 0.408 60 F N -2.203 117.575 119.950 -0.287 0.000 2.686 60 F HA 0.384 4.911 4.527 0.001 0.000 0.311 60 F C -0.347 175.364 175.800 -0.148 0.000 1.128 60 F CA -1.397 56.471 58.000 -0.220 0.000 0.946 60 F CB 0.520 39.309 39.000 -0.352 0.000 1.336 60 F HN 0.211 nan 8.300 nan 0.000 0.457 61 T N -0.100 114.519 114.554 0.109 0.000 2.884 61 T HA 0.280 4.630 4.350 0.001 0.000 0.298 61 T C 0.876 175.683 174.700 0.179 0.000 0.998 61 T CA -0.429 61.684 62.100 0.021 0.000 1.124 61 T CB 1.220 70.082 68.868 -0.010 0.000 0.931 61 T HN 0.893 nan 8.240 nan 0.000 0.531 62 I N 1.366 121.969 120.570 0.054 0.000 2.676 62 I HA -0.161 4.009 4.170 0.001 0.000 0.259 62 I C 1.288 177.486 176.117 0.136 0.000 1.194 62 I CA 0.800 62.191 61.300 0.152 0.000 1.473 62 I CB -0.226 37.810 38.000 0.060 0.000 1.096 62 I HN 0.747 nan 8.210 nan 0.000 0.443 63 Q N -0.082 119.748 119.800 0.051 0.000 1.932 63 Q HA -0.380 3.961 4.340 0.001 0.000 0.407 63 Q C 1.559 177.594 176.000 0.059 0.000 0.787 63 Q CA 1.944 57.757 55.803 0.016 0.000 0.852 63 Q CB -1.706 27.057 28.738 0.043 0.000 3.472 63 Q HN 0.385 nan 8.270 nan 0.000 0.793 64 S N 0.657 116.417 115.700 0.099 0.000 2.387 64 S HA -0.138 4.332 4.470 0.001 0.000 0.230 64 S C 1.566 176.236 174.600 0.117 0.000 1.035 64 S CA 1.611 59.890 58.200 0.131 0.000 1.014 64 S CB -0.416 62.866 63.200 0.138 0.000 0.836 64 S HN 0.626 nan 8.310 nan 0.000 0.466 65 A N 1.030 123.928 122.820 0.129 0.000 2.272 65 A HA -0.066 4.254 4.320 0.001 0.000 0.213 65 A C 2.107 179.835 177.584 0.241 0.000 1.183 65 A CA 1.565 53.694 52.037 0.154 0.000 0.719 65 A CB -0.625 18.500 19.000 0.209 0.000 0.771 65 A HN 0.631 nan 8.150 nan 0.000 0.484 66 S N -0.686 115.149 115.700 0.225 0.000 2.501 66 S HA -0.003 4.468 4.470 0.001 0.000 0.220 66 S C 1.621 176.371 174.600 0.250 0.000 0.997 66 S CA 0.691 59.081 58.200 0.316 0.000 0.919 66 S CB -0.156 63.152 63.200 0.181 0.000 0.778 66 S HN 0.594 nan 8.310 nan 0.000 0.523 67 K N 2.099 122.582 120.400 0.139 0.000 2.103 67 K HA -0.031 4.289 4.320 0.001 0.000 0.207 67 K C -0.786 175.814 176.600 -0.001 0.000 1.048 67 K CA 1.623 57.959 56.287 0.081 0.000 0.930 67 K CB -0.955 31.571 32.500 0.043 0.000 0.716 67 K HN 0.450 nan 8.250 nan 0.000 0.444 68 P HA -0.094 nan 4.420 nan 0.000 0.227 68 P C 0.864 178.028 177.300 -0.225 0.000 1.161 68 P CA 1.102 64.074 63.100 -0.212 0.000 0.788 68 P CB 0.027 31.491 31.700 -0.394 0.000 0.822 69 F N 1.014 121.006 119.950 0.069 0.000 2.293 69 F HA -0.085 4.442 4.527 0.001 0.000 0.297 69 F C 2.552 178.377 175.800 0.040 0.000 1.089 69 F CA 1.691 59.716 58.000 0.042 0.000 1.377 69 F CB -1.325 37.690 39.000 0.026 0.000 1.051 69 F HN -0.040 nan 8.300 nan 0.000 0.511 70 T N -2.736 111.945 114.554 0.212 0.000 2.896 70 T HA -0.217 4.133 4.350 0.001 0.000 0.263 70 T C 1.771 176.549 174.700 0.130 0.000 1.050 70 T CA 0.877 63.061 62.100 0.139 0.000 1.140 70 T CB -0.934 68.016 68.868 0.138 0.000 0.877 70 T HN 0.291 nan 8.240 nan 0.000 0.457 71 Y N 2.735 123.020 120.300 -0.025 0.000 2.224 71 Y HA 0.188 4.738 4.550 0.001 0.000 0.289 71 Y C 2.660 178.504 175.900 -0.094 0.000 1.146 71 Y CA 0.354 58.412 58.100 -0.071 0.000 1.182 71 Y CB -1.014 37.392 38.460 -0.089 0.000 0.983 71 Y HN 0.299 nan 8.280 nan 0.000 0.524 72 A N 0.324 123.123 122.820 -0.035 0.000 1.873 72 A HA -0.053 4.268 4.320 0.001 0.000 0.215 72 A C 2.482 180.006 177.584 -0.100 0.000 1.186 72 A CA 1.905 53.866 52.037 -0.126 0.000 0.616 72 A CB -1.430 17.560 19.000 -0.017 0.000 0.823 72 A HN 0.531 nan 8.150 nan 0.000 0.442 73 A N -0.253 122.554 122.820 -0.023 0.000 1.930 73 A HA 0.201 4.521 4.320 0.001 0.000 0.217 73 A C 2.443 179.991 177.584 -0.061 0.000 1.175 73 A CA 1.932 53.953 52.037 -0.027 0.000 0.627 73 A CB -0.864 18.135 19.000 -0.000 0.000 0.815 73 A HN 1.023 nan 8.150 nan 0.000 0.443 74 A N -0.482 122.299 122.820 -0.064 0.000 1.969 74 A HA 0.076 4.396 4.320 0.001 0.000 0.218 74 A C 2.099 179.593 177.584 -0.150 0.000 1.169 74 A CA 1.267 53.261 52.037 -0.071 0.000 0.635 74 A CB -0.462 18.532 19.000 -0.010 0.000 0.810 74 A HN 0.458 nan 8.150 nan 0.000 0.445 75 L N -0.679 120.379 121.223 -0.275 0.000 2.156 75 L HA -0.102 4.239 4.340 0.001 0.000 0.208 75 L C 2.373 179.086 176.870 -0.262 0.000 1.095 75 L CA 0.710 55.283 54.840 -0.444 0.000 0.770 75 L CB -0.277 41.324 42.059 -0.764 0.000 0.914 75 L HN 0.244 nan 8.230 nan 0.000 0.439 76 V N -0.891 118.928 119.914 -0.159 0.000 2.407 76 V HA -0.191 3.930 4.120 0.001 0.000 0.245 76 V C 1.951 178.017 176.094 -0.046 0.000 1.041 76 V CA 1.474 63.732 62.300 -0.070 0.000 1.040 76 V CB -0.413 31.384 31.823 -0.042 0.000 0.671 76 V HN 0.353 nan 8.190 nan 0.000 0.455 77 D N 0.203 120.571 120.400 -0.053 0.000 2.144 77 D HA -0.084 4.557 4.640 0.001 0.000 0.200 77 D C 2.283 178.568 176.300 -0.026 0.000 0.978 77 D CA 1.057 55.037 54.000 -0.033 0.000 0.833 77 D CB -0.042 40.738 40.800 -0.034 0.000 0.961 77 D HN 0.328 nan 8.370 nan 0.000 0.470 78 R N -0.776 119.701 120.500 -0.040 0.000 2.369 78 R HA 0.379 4.719 4.340 0.001 0.000 0.210 78 R C 1.048 177.345 176.300 -0.006 0.000 0.881 78 R CA 0.535 56.624 56.100 -0.019 0.000 1.031 78 R CB 0.641 30.930 30.300 -0.018 0.000 1.184 78 R HN 0.117 nan 8.270 nan 0.000 0.581 79 G N 0.935 109.719 108.800 -0.028 0.000 2.663 79 G HA2 -0.223 3.738 3.960 0.001 0.000 0.686 79 G HA3 -0.223 3.738 3.960 0.001 0.000 0.686 79 G C 0.135 175.051 174.900 0.025 0.000 1.246 79 G CA -0.535 44.595 45.100 0.049 0.000 0.795 79 G HN -0.018 nan 8.290 nan 0.000 0.627 80 F N 1.483 121.415 119.950 -0.029 0.000 2.102 80 F HA 0.059 4.586 4.527 0.001 0.000 0.298 80 F C 3.187 178.988 175.800 0.002 0.000 1.105 80 F CA 2.911 60.896 58.000 -0.025 0.000 1.239 80 F CB -0.807 38.176 39.000 -0.028 0.000 0.991 80 F HN 0.804 nan 8.300 nan 0.000 0.474 81 A N 0.154 123.095 122.820 0.201 0.000 1.892 81 A HA -0.195 4.126 4.320 0.001 0.000 0.218 81 A C 2.434 180.074 177.584 0.092 0.000 1.188 81 A CA 2.334 54.445 52.037 0.124 0.000 0.631 81 A CB -1.430 17.627 19.000 0.094 0.000 0.822 81 A HN 0.338 nan 8.150 nan 0.000 0.447 82 A N -1.015 121.848 122.820 0.072 0.000 1.930 82 A HA 0.073 4.393 4.320 0.001 0.000 0.217 82 A C 2.221 179.834 177.584 0.048 0.000 1.175 82 A CA 1.751 53.821 52.037 0.055 0.000 0.627 82 A CB -0.730 18.294 19.000 0.039 0.000 0.815 82 A HN 0.410 nan 8.150 nan 0.000 0.443 83 V N 0.393 120.322 119.914 0.025 0.000 2.407 83 V HA -0.156 3.965 4.120 0.001 0.000 0.245 83 V C 1.933 178.061 176.094 0.057 0.000 1.041 83 V CA 1.971 64.285 62.300 0.024 0.000 1.040 83 V CB -0.701 31.094 31.823 -0.047 0.000 0.671 83 V HN 0.454 nan 8.190 nan 0.000 0.455 84 D N 0.112 120.554 120.400 0.070 0.000 2.218 84 D HA -0.164 4.476 4.640 0.001 0.000 0.204 84 D C 2.233 178.558 176.300 0.041 0.000 0.976 84 D CA 0.984 55.033 54.000 0.081 0.000 0.853 84 D CB -0.249 40.622 40.800 0.117 0.000 0.939 84 D HN 0.397 nan 8.370 nan 0.000 0.481 85 R N 0.338 120.871 120.500 0.056 0.000 2.235 85 R HA -0.052 4.289 4.340 0.001 0.000 0.213 85 R C 1.356 177.646 176.300 -0.017 0.000 1.059 85 R CA 0.941 57.076 56.100 0.058 0.000 0.997 85 R CB 0.242 30.633 30.300 0.151 0.000 0.884 85 R HN 0.040 nan 8.270 nan 0.000 0.462 86 Q N -0.561 119.240 119.800 0.002 0.000 2.391 86 Q HA 0.196 4.536 4.340 0.001 0.000 0.243 86 Q C -0.249 175.728 176.000 -0.038 0.000 0.874 86 Q CA 0.333 56.130 55.803 -0.009 0.000 0.950 86 Q CB 1.625 30.386 28.738 0.038 0.000 1.103 86 Q HN 0.096 nan 8.270 nan 0.000 0.544 87 V N 0.938 120.840 119.914 -0.021 0.000 2.444 87 V HA 0.634 4.755 4.120 0.001 0.000 0.294 87 V C 0.487 176.561 176.094 -0.033 0.000 1.022 87 V CA -0.738 61.540 62.300 -0.037 0.000 0.850 87 V CB 1.367 33.180 31.823 -0.017 0.000 0.992 87 V HN 0.196 nan 8.190 nan 0.000 0.426 88 G N 2.869 111.631 108.800 -0.064 0.000 2.553 88 G HA2 0.511 4.472 3.960 0.001 0.000 0.278 88 G HA3 0.511 4.472 3.960 0.001 0.000 0.278 88 G C 0.113 174.994 174.900 -0.031 0.000 1.349 88 G CA -0.371 44.700 45.100 -0.048 0.000 1.037 88 G HN 0.664 nan 8.290 nan 0.000 0.508 89 L N 0.019 121.230 121.223 -0.019 0.000 3.333 89 L HA 0.275 4.615 4.340 0.001 0.000 0.299 89 L C -0.180 176.678 176.870 -0.020 0.000 1.256 89 L CA -0.306 54.530 54.840 -0.005 0.000 1.037 89 L CB 0.262 42.341 42.059 0.033 0.000 1.423 89 L HN 0.252 nan 8.230 nan 0.000 0.605 90 N N 2.088 120.767 118.700 -0.035 0.000 2.421 90 N HA 0.357 5.097 4.740 0.001 0.000 0.285 90 N C -2.509 172.976 175.510 -0.042 0.000 1.027 90 N CA -1.330 51.700 53.050 -0.032 0.000 0.918 90 N CB 1.326 39.794 38.487 -0.032 0.000 1.152 90 N HN -0.120 nan 8.380 nan 0.000 0.485 91 P HA 0.045 nan 4.420 nan 0.000 0.270 91 P C -0.323 176.966 177.300 -0.018 0.000 1.223 91 P CA 0.059 63.137 63.100 -0.037 0.000 0.785 91 P CB 0.905 32.591 31.700 -0.023 0.000 0.923 92 S N -0.094 115.611 115.700 0.007 0.000 2.587 92 S HA 0.612 5.082 4.470 0.001 0.000 0.269 92 S C -0.645 174.037 174.600 0.138 0.000 1.154 92 S CA -0.501 57.721 58.200 0.037 0.000 0.824 92 S CB 0.797 64.000 63.200 0.005 0.000 1.118 92 S HN 0.582 nan 8.310 nan 0.000 0.462 93 G N 0.884 109.737 108.800 0.089 0.000 2.448 93 G HA2 0.411 4.372 3.960 0.001 0.000 0.285 93 G HA3 0.411 4.372 3.960 0.001 0.000 0.285 93 G C 0.461 175.394 174.900 0.055 0.000 1.176 93 G CA -0.139 45.005 45.100 0.074 0.000 0.852 93 G HN 0.759 nan 8.290 nan 0.000 0.530 94 E N 1.064 121.217 120.200 -0.079 0.000 2.153 94 E HA -0.025 4.325 4.350 0.001 0.000 0.194 94 E C 1.791 178.390 176.600 -0.002 0.000 0.988 94 E CA 0.829 57.206 56.400 -0.040 0.000 0.811 94 E CB -0.422 29.152 29.700 -0.211 0.000 0.746 94 E HN 0.648 nan 8.360 nan 0.000 0.466 95 A N 0.595 123.391 122.820 -0.039 0.000 2.567 95 A HA 0.129 4.450 4.320 0.001 0.000 0.240 95 A C -0.212 177.395 177.584 0.039 0.000 1.053 95 A CA -0.097 51.937 52.037 -0.005 0.000 0.755 95 A CB -0.556 18.421 19.000 -0.039 0.000 0.978 95 A HN 0.346 nan 8.150 nan 0.000 0.507 96 F N 3.791 123.711 119.950 -0.050 0.000 2.410 96 F HA 0.424 4.952 4.527 0.001 0.000 0.348 96 F C 0.187 175.960 175.800 -0.045 0.000 1.106 96 F CA -0.481 57.490 58.000 -0.048 0.000 1.163 96 F CB 0.805 39.777 39.000 -0.047 0.000 1.129 96 F HN 0.613 nan 8.300 nan 0.000 0.516 97 N N 5.037 123.100 118.700 -1.061 0.000 2.354 97 N HA 0.104 4.844 4.740 0.001 0.000 0.287 97 N C 0.547 175.390 175.510 -1.112 0.000 1.016 97 N CA -0.252 52.343 53.050 -0.759 0.000 0.871 97 N CB 1.489 39.732 38.487 -0.406 0.000 1.299 97 N HN 0.919 nan 8.380 nan 0.000 0.482 98 E N 3.178 123.040 120.200 -0.564 0.000 2.118 98 E HA -0.110 4.241 4.350 0.001 0.000 0.195 98 E C 1.330 177.770 176.600 -0.267 0.000 0.992 98 E CA 0.950 57.197 56.400 -0.255 0.000 0.804 98 E CB 0.162 29.901 29.700 0.064 0.000 0.741 98 E HN 0.647 nan 8.360 nan 0.000 0.458 99 L N 0.934 122.032 121.223 -0.209 0.000 2.197 99 L HA -0.234 4.107 4.340 0.001 0.000 0.215 99 L C 2.603 179.369 176.870 -0.173 0.000 1.095 99 L CA 1.403 56.159 54.840 -0.140 0.000 0.764 99 L CB -0.646 41.348 42.059 -0.108 0.000 0.897 99 L HN 0.251 nan 8.230 nan 0.000 0.436 100 S N -0.457 115.081 115.700 -0.271 0.000 2.469 100 S HA -0.105 4.365 4.470 0.001 0.000 0.238 100 S C 1.707 176.193 174.600 -0.190 0.000 0.998 100 S CA 0.831 58.896 58.200 -0.225 0.000 0.957 100 S CB -0.310 62.721 63.200 -0.281 0.000 0.764 100 S HN 0.478 nan 8.310 nan 0.000 0.514 101 L N 0.212 121.280 121.223 -0.258 0.000 2.515 101 L HA 0.266 4.606 4.340 0.001 0.000 0.223 101 L C 2.505 179.295 176.870 -0.133 0.000 1.079 101 L CA 0.401 55.058 54.840 -0.304 0.000 0.857 101 L CB -0.323 41.275 42.059 -0.767 0.000 1.050 101 L HN 0.275 nan 8.230 nan 0.000 0.476 102 E N 1.362 121.531 120.200 -0.052 0.000 2.204 102 E HA -0.036 4.315 4.350 0.001 0.000 0.194 102 E C 1.105 177.765 176.600 0.101 0.000 0.989 102 E CA 0.365 56.845 56.400 0.134 0.000 0.824 102 E CB 0.035 29.804 29.700 0.115 0.000 0.756 102 E HN 0.428 nan 8.360 nan 0.000 0.477 103 A N 1.437 124.282 122.820 0.041 0.000 2.547 103 A HA -0.095 4.226 4.320 0.001 0.000 0.233 103 A C 0.667 178.307 177.584 0.094 0.000 1.067 103 A CA -0.057 52.006 52.037 0.044 0.000 0.763 103 A CB 0.205 19.209 19.000 0.006 0.000 1.007 103 A HN 0.023 nan 8.150 nan 0.000 0.506 104 E N 0.910 121.166 120.200 0.093 0.000 2.455 104 E HA -0.089 4.262 4.350 0.001 0.000 0.202 104 E C 1.792 178.529 176.600 0.228 0.000 1.045 104 E CA 1.452 57.934 56.400 0.136 0.000 0.872 104 E CB -0.162 29.593 29.700 0.092 0.000 0.792 104 E HN 0.574 nan 8.360 nan 0.000 0.542 105 S N 0.426 116.202 115.700 0.127 0.000 2.436 105 S HA -0.125 4.345 4.470 0.001 0.000 0.228 105 S C 0.507 174.954 174.600 -0.255 0.000 1.014 105 S CA 0.697 58.895 58.200 -0.003 0.000 0.950 105 S CB -0.426 62.733 63.200 -0.067 0.000 0.784 105 S HN 0.604 nan 8.310 nan 0.000 0.504 106 H N 1.665 120.764 119.070 0.048 0.000 2.594 106 H HA -0.218 4.338 4.556 0.001 0.000 0.316 106 H C -0.236 175.123 175.328 0.050 0.000 1.107 106 H CA 1.213 57.309 56.048 0.080 0.000 1.133 106 H CB -2.520 27.311 29.762 0.116 0.000 1.459 106 H HN 0.668 nan 8.280 nan 0.000 0.411 107 R N -1.407 118.984 120.500 -0.183 0.000 2.629 107 R HA 0.579 4.920 4.340 0.001 0.000 0.266 107 R C -3.397 172.843 176.300 -0.100 0.000 1.051 107 R CA -1.815 54.189 56.100 -0.160 0.000 0.895 107 R CB 1.881 32.027 30.300 -0.256 0.000 1.246 107 R HN -0.015 nan 8.270 nan 0.000 0.459 108 P HA 0.009 nan 4.420 nan 0.000 0.270 108 P C -0.311 176.951 177.300 -0.062 0.000 1.223 108 P CA -0.098 62.984 63.100 -0.030 0.000 0.785 108 P CB 0.752 32.452 31.700 0.000 0.000 0.923 109 D N 0.334 120.698 120.400 -0.059 0.000 2.104 109 D HA -0.109 4.531 4.640 0.001 0.000 0.194 109 D C 1.036 177.287 176.300 -0.082 0.000 0.994 109 D CA 1.724 55.684 54.000 -0.068 0.000 0.830 109 D CB 0.076 40.840 40.800 -0.060 0.000 0.959 109 D HN 0.610 nan 8.370 nan 0.000 0.452 110 N N -1.976 116.660 118.700 -0.105 0.000 3.243 110 N HA 0.325 5.065 4.740 0.001 0.000 0.280 110 N C -0.116 175.249 175.510 -0.242 0.000 1.545 110 N CA -0.327 52.620 53.050 -0.172 0.000 0.854 110 N CB 1.289 39.675 38.487 -0.169 0.000 1.612 110 N HN -0.107 nan 8.380 nan 0.000 0.577 111 A N -0.435 122.136 122.820 -0.415 0.000 2.218 111 A HA 0.152 4.472 4.320 0.001 0.000 0.209 111 A C 1.424 178.822 177.584 -0.311 0.000 1.168 111 A CA 0.512 52.252 52.037 -0.496 0.000 0.804 111 A CB -0.410 17.908 19.000 -1.137 0.000 0.834 111 A HN 0.509 nan 8.150 nan 0.000 0.482 112 M N 0.099 119.541 119.600 -0.263 0.000 2.514 112 M HA 0.229 4.709 4.480 0.001 0.000 0.258 112 M C 0.843 177.086 176.300 -0.095 0.000 1.119 112 M CA 0.119 55.292 55.300 -0.212 0.000 1.111 112 M CB -1.102 31.298 32.600 -0.333 0.000 1.390 112 M HN 0.544 nan 8.290 nan 0.000 0.475 113 I N -1.788 118.753 120.570 -0.050 0.000 2.713 113 I HA 0.268 4.439 4.170 0.001 0.000 0.300 113 I C 1.185 177.309 176.117 0.012 0.000 1.009 113 I CA -0.555 60.796 61.300 0.085 0.000 1.305 113 I CB 0.361 38.419 38.000 0.097 0.000 1.430 113 I HN -0.119 nan 8.210 nan 0.000 0.546 114 N N 3.134 121.849 118.700 0.026 0.000 2.094 114 N HA -0.195 4.546 4.740 0.001 0.000 0.191 114 N C 1.802 177.189 175.510 -0.205 0.000 1.023 114 N CA 1.982 54.967 53.050 -0.108 0.000 0.857 114 N CB -0.617 37.836 38.487 -0.056 0.000 1.013 114 N HN 0.865 nan 8.380 nan 0.000 0.426 115 A N 0.255 123.013 122.820 -0.103 0.000 1.940 115 A HA -0.012 4.308 4.320 0.001 0.000 0.219 115 A C 2.353 179.871 177.584 -0.111 0.000 1.176 115 A CA 1.906 53.877 52.037 -0.110 0.000 0.631 115 A CB -1.127 17.877 19.000 0.006 0.000 0.814 115 A HN 0.378 nan 8.150 nan 0.000 0.446 116 G N -1.092 107.650 108.800 -0.097 0.000 2.448 116 G HA2 0.151 4.111 3.960 0.001 0.000 0.218 116 G HA3 0.151 4.111 3.960 0.001 0.000 0.218 116 G C 1.577 176.395 174.900 -0.137 0.000 1.135 116 G CA 1.099 46.128 45.100 -0.118 0.000 0.784 116 G HN 0.747 nan 8.290 nan 0.000 0.543 117 A N 0.402 123.125 122.820 -0.163 0.000 1.970 117 A HA 0.262 4.582 4.320 0.001 0.000 0.216 117 A C 2.323 179.812 177.584 -0.158 0.000 1.170 117 A CA 0.655 52.611 52.037 -0.136 0.000 0.645 117 A CB -0.236 18.692 19.000 -0.120 0.000 0.816 117 A HN 0.332 nan 8.150 nan 0.000 0.447 118 L N -0.836 120.216 121.223 -0.284 0.000 2.093 118 L HA -0.132 4.209 4.340 0.001 0.000 0.208 118 L C 3.016 179.853 176.870 -0.055 0.000 1.085 118 L CA 0.976 55.684 54.840 -0.221 0.000 0.755 118 L CB -0.394 41.501 42.059 -0.273 0.000 0.904 118 L HN 0.418 nan 8.230 nan 0.000 0.435 119 A N -0.648 122.138 122.820 -0.057 0.000 1.969 119 A HA -0.100 4.220 4.320 0.001 0.000 0.218 119 A C 2.303 179.903 177.584 0.026 0.000 1.169 119 A CA 1.296 53.327 52.037 -0.010 0.000 0.635 119 A CB -0.574 18.413 19.000 -0.021 0.000 0.810 119 A HN 0.186 nan 8.150 nan 0.000 0.445 120 V N -0.591 119.339 119.914 0.026 0.000 2.379 120 V HA -0.221 3.899 4.120 0.001 0.000 0.245 120 V C 2.502 178.647 176.094 0.086 0.000 1.044 120 V CA 2.001 64.340 62.300 0.065 0.000 1.036 120 V CB -0.898 30.968 31.823 0.072 0.000 0.664 120 V HN 0.749 nan 8.190 nan 0.000 0.453 121 H N 0.363 119.455 119.070 0.036 0.000 2.290 121 H HA -0.236 4.321 4.556 0.001 0.000 0.298 121 H C 2.416 177.769 175.328 0.042 0.000 1.087 121 H CA 2.547 58.631 56.048 0.061 0.000 1.291 121 H CB -0.040 29.777 29.762 0.092 0.000 1.369 121 H HN 0.486 nan 8.280 nan 0.000 0.492 122 Q N 0.904 120.828 119.800 0.207 0.000 2.133 122 Q HA -0.138 4.202 4.340 0.001 0.000 0.208 122 Q C 2.475 178.516 176.000 0.068 0.000 0.991 122 Q CA 1.864 57.746 55.803 0.133 0.000 0.867 122 Q CB -0.672 28.114 28.738 0.079 0.000 0.911 122 Q HN 0.549 nan 8.270 nan 0.000 0.417 123 L N -0.063 121.188 121.223 0.046 0.000 2.465 123 L HA -0.056 4.284 4.340 0.001 0.000 0.224 123 L C 2.065 178.930 176.870 -0.008 0.000 1.145 123 L CA 0.080 54.933 54.840 0.022 0.000 0.834 123 L CB -0.305 41.770 42.059 0.026 0.000 0.944 123 L HN 0.329 nan 8.230 nan 0.000 0.451 124 L N -0.909 120.288 121.223 -0.043 0.000 2.064 124 L HA -0.295 4.045 4.340 0.001 0.000 0.216 124 L C 2.024 178.860 176.870 -0.056 0.000 1.077 124 L CA 1.424 56.213 54.840 -0.084 0.000 0.766 124 L CB -0.264 41.668 42.059 -0.211 0.000 0.890 124 L HN 0.193 nan 8.230 nan 0.000 0.435 125 V N -2.799 117.094 119.914 -0.034 0.000 3.250 125 V HA 0.441 4.562 4.120 0.001 0.000 0.240 125 V C 0.600 176.689 176.094 -0.008 0.000 1.275 125 V CA 0.580 62.868 62.300 -0.021 0.000 1.206 125 V CB 1.006 32.820 31.823 -0.015 0.000 0.976 125 V HN 0.494 nan 8.190 nan 0.000 0.467 126 G N -0.423 108.376 108.800 -0.001 0.000 2.320 126 G HA2 0.283 4.243 3.960 0.001 0.000 0.297 126 G HA3 0.283 4.243 3.960 0.001 0.000 0.297 126 G C -2.826 172.082 174.900 0.014 0.000 1.344 126 G CA 0.005 45.109 45.100 0.006 0.000 0.851 126 G HN -0.067 nan 8.290 nan 0.000 0.567 127 P HA 0.005 nan 4.420 nan 0.000 0.215 127 P C 0.916 178.230 177.300 0.022 0.000 1.153 127 P CA 1.396 64.509 63.100 0.022 0.000 0.853 127 P CB 0.248 31.961 31.700 0.020 0.000 0.788 128 E N -1.195 119.016 120.200 0.019 0.000 2.437 128 E HA 0.325 4.675 4.350 0.001 0.000 0.195 128 E C 0.209 176.821 176.600 0.020 0.000 1.029 128 E CA -0.314 56.098 56.400 0.019 0.000 0.948 128 E CB -0.411 29.299 29.700 0.016 0.000 1.082 128 E HN 0.132 nan 8.360 nan 0.000 0.456 129 A N 1.097 123.930 122.820 0.021 0.000 2.445 129 A HA 0.380 4.700 4.320 0.001 0.000 0.242 129 A C 0.639 178.242 177.584 0.032 0.000 1.075 129 A CA -0.311 51.739 52.037 0.022 0.000 0.777 129 A CB 0.251 19.262 19.000 0.017 0.000 1.013 129 A HN 0.254 nan 8.150 nan 0.000 0.493 130 S N 1.700 117.419 115.700 0.031 0.000 2.601 130 S HA 0.278 4.748 4.470 0.001 0.000 0.271 130 S C 1.224 175.857 174.600 0.056 0.000 1.305 130 S CA -0.134 58.089 58.200 0.038 0.000 1.022 130 S CB 1.010 64.228 63.200 0.030 0.000 0.940 130 S HN 0.842 nan 8.310 nan 0.000 0.525 131 R N 1.368 121.907 120.500 0.065 0.000 2.119 131 R HA -0.215 4.125 4.340 0.001 0.000 0.246 131 R C 2.098 178.457 176.300 0.099 0.000 1.146 131 R CA 2.113 58.268 56.100 0.091 0.000 0.962 131 R CB -0.439 29.907 30.300 0.077 0.000 0.863 131 R HN 0.855 nan 8.270 nan 0.000 0.442 132 K N 0.257 120.698 120.400 0.069 0.000 2.103 132 K HA -0.125 4.196 4.320 0.001 0.000 0.204 132 K C 1.798 178.431 176.600 0.055 0.000 1.052 132 K CA 1.560 57.886 56.287 0.063 0.000 0.945 132 K CB 0.078 32.602 32.500 0.041 0.000 0.722 132 K HN 0.310 nan 8.250 nan 0.000 0.443 133 E N 0.283 120.507 120.200 0.041 0.000 2.058 133 E HA -0.197 4.153 4.350 0.001 0.000 0.194 133 E C 2.150 178.760 176.600 0.016 0.000 0.997 133 E CA 1.283 57.697 56.400 0.024 0.000 0.801 133 E CB -0.023 29.686 29.700 0.016 0.000 0.746 133 E HN 0.255 nan 8.360 nan 0.000 0.450 134 R N 0.309 120.823 120.500 0.024 0.000 2.096 134 R HA -0.144 4.197 4.340 0.001 0.000 0.235 134 R C 2.449 178.731 176.300 -0.030 0.000 1.127 134 R CA 0.838 56.917 56.100 -0.034 0.000 0.968 134 R CB -0.327 29.969 30.300 -0.006 0.000 0.861 134 R HN 0.125 nan 8.270 nan 0.000 0.440 135 L N 1.819 123.102 121.223 0.101 0.000 2.027 135 L HA -0.160 4.181 4.340 0.001 0.000 0.206 135 L C 1.273 178.175 176.870 0.054 0.000 1.074 135 L CA 2.119 57.040 54.840 0.135 0.000 0.745 135 L CB -0.503 41.642 42.059 0.142 0.000 0.898 135 L HN 0.208 nan 8.230 nan 0.000 0.433 136 D N -1.980 118.442 120.400 0.037 0.000 2.363 136 D HA -0.147 4.494 4.640 0.001 0.000 0.220 136 D C 2.020 178.317 176.300 -0.005 0.000 0.994 136 D CA 0.355 54.365 54.000 0.016 0.000 0.890 136 D CB -0.257 40.556 40.800 0.021 0.000 0.906 136 D HN 0.202 nan 8.370 nan 0.000 0.530 137 R N 1.141 121.631 120.500 -0.018 0.000 2.100 137 R HA 0.239 4.579 4.340 0.001 0.000 0.220 137 R C 1.896 178.175 176.300 -0.035 0.000 1.091 137 R CA 1.469 57.550 56.100 -0.032 0.000 0.986 137 R CB -0.902 29.368 30.300 -0.051 0.000 0.888 137 R HN 0.139 nan 8.270 nan 0.000 0.444 138 A N -0.066 122.728 122.820 -0.044 0.000 1.929 138 A HA -0.010 4.310 4.320 0.001 0.000 0.216 138 A C 2.203 179.779 177.584 -0.013 0.000 1.176 138 A CA 1.521 53.546 52.037 -0.019 0.000 0.628 138 A CB -0.515 18.487 19.000 0.004 0.000 0.816 138 A HN 0.153 nan 8.150 nan 0.000 0.444 139 V N 0.130 120.031 119.914 -0.022 0.000 2.453 139 V HA -0.225 3.896 4.120 0.001 0.000 0.247 139 V C 2.473 178.538 176.094 -0.048 0.000 1.048 139 V CA 2.125 64.399 62.300 -0.044 0.000 1.049 139 V CB -0.630 31.171 31.823 -0.037 0.000 0.672 139 V HN 0.795 nan 8.190 nan 0.000 0.457 140 E N 0.290 120.470 120.200 -0.033 0.000 2.017 140 E HA -0.268 4.082 4.350 0.001 0.000 0.193 140 E C 2.234 178.812 176.600 -0.036 0.000 0.997 140 E CA 1.803 58.184 56.400 -0.031 0.000 0.804 140 E CB -0.208 29.480 29.700 -0.020 0.000 0.757 140 E HN 0.417 nan 8.360 nan 0.000 0.448 141 I N 0.990 121.546 120.570 -0.024 0.000 2.151 141 I HA -0.292 3.878 4.170 0.001 0.000 0.243 141 I C 2.297 178.375 176.117 -0.065 0.000 1.080 141 I CA 1.644 62.938 61.300 -0.011 0.000 1.339 141 I CB -0.236 37.784 38.000 0.033 0.000 1.039 141 I HN 0.292 nan 8.210 nan 0.000 0.409 142 M N -0.844 118.686 119.600 -0.116 0.000 2.132 142 M HA -0.188 4.292 4.480 0.001 0.000 0.263 142 M C 2.287 178.451 176.300 -0.225 0.000 1.065 142 M CA 1.787 56.920 55.300 -0.279 0.000 1.122 142 M CB -0.328 32.117 32.600 -0.258 0.000 1.365 142 M HN 0.165 nan 8.290 nan 0.000 0.411 143 S N 0.704 116.323 115.700 -0.136 0.000 2.383 143 S HA -0.041 4.430 4.470 0.001 0.000 0.227 143 S C 1.821 176.379 174.600 -0.071 0.000 1.026 143 S CA 0.993 59.132 58.200 -0.102 0.000 0.981 143 S CB -0.330 62.826 63.200 -0.075 0.000 0.818 143 S HN 0.400 nan 8.310 nan 0.000 0.472 144 L N 0.910 122.101 121.223 -0.052 0.000 2.141 144 L HA -0.032 4.308 4.340 0.001 0.000 0.209 144 L C 1.972 178.863 176.870 0.036 0.000 1.094 144 L CA 0.988 55.819 54.840 -0.013 0.000 0.763 144 L CB -0.411 41.647 42.059 -0.002 0.000 0.908 144 L HN 0.314 nan 8.230 nan 0.000 0.437 145 L N -1.039 120.179 121.223 -0.008 0.000 2.270 145 L HA 0.020 4.360 4.340 0.001 0.000 0.210 145 L C 2.602 179.480 176.870 0.014 0.000 1.104 145 L CA 0.542 55.393 54.840 0.018 0.000 0.804 145 L CB -0.531 41.483 42.059 -0.075 0.000 0.937 145 L HN 0.154 nan 8.230 nan 0.000 0.450 146 A N -0.082 122.702 122.820 -0.060 0.000 2.119 146 A HA 0.201 4.522 4.320 0.001 0.000 0.216 146 A C 1.918 179.521 177.584 0.031 0.000 1.152 146 A CA 0.939 52.944 52.037 -0.055 0.000 0.708 146 A CB -0.443 18.478 19.000 -0.132 0.000 0.805 146 A HN 0.507 nan 8.150 nan 0.000 0.460 147 G N -0.673 108.160 108.800 0.055 0.000 2.184 147 G HA2 -0.308 3.653 3.960 0.001 0.000 0.264 147 G HA3 -0.308 3.653 3.960 0.001 0.000 0.264 147 G C 0.271 175.144 174.900 -0.044 0.000 0.975 147 G CA 0.808 45.907 45.100 -0.002 0.000 0.642 147 G HN 1.273 nan 8.290 nan 0.000 0.536 148 R N -1.710 118.762 120.500 -0.047 0.000 2.781 148 R HA 0.740 5.080 4.340 0.001 0.000 0.269 148 R C -0.355 175.907 176.300 -0.062 0.000 1.025 148 R CA -1.042 55.025 56.100 -0.055 0.000 0.914 148 R CB 0.967 31.234 30.300 -0.055 0.000 1.236 148 R HN 0.180 nan 8.270 nan 0.000 0.465 149 R N 1.641 122.107 120.500 -0.056 0.000 2.347 149 R HA 0.331 4.672 4.340 0.001 0.000 0.304 149 R C -0.752 175.508 176.300 -0.067 0.000 1.072 149 R CA -0.206 55.861 56.100 -0.054 0.000 0.980 149 R CB 0.491 30.768 30.300 -0.040 0.000 0.986 149 R HN 0.556 nan 8.270 nan 0.000 0.448 150 L N 2.500 123.676 121.223 -0.078 0.000 2.352 150 L HA 0.487 4.828 4.340 0.001 0.000 0.269 150 L C -0.044 176.775 176.870 -0.084 0.000 1.034 150 L CA -0.825 53.955 54.840 -0.100 0.000 0.806 150 L CB 2.129 44.109 42.059 -0.132 0.000 1.244 150 L HN 0.676 nan 8.230 nan 0.000 0.447 151 S N 0.091 115.732 115.700 -0.099 0.000 2.648 151 S HA 0.603 5.074 4.470 0.001 0.000 0.305 151 S C -0.676 173.823 174.600 -0.167 0.000 1.094 151 S CA -0.588 57.563 58.200 -0.082 0.000 0.983 151 S CB 2.391 65.569 63.200 -0.037 0.000 1.101 151 S HN 0.236 nan 8.310 nan 0.000 0.514 152 V N 1.943 121.713 119.914 -0.239 0.000 2.394 152 V HA 0.259 4.380 4.120 0.001 0.000 0.282 152 V C -0.309 175.429 176.094 -0.594 0.000 1.031 152 V CA -0.618 61.342 62.300 -0.567 0.000 0.881 152 V CB 1.390 32.548 31.823 -1.109 0.000 0.982 152 V HN 0.892 nan 8.190 nan 0.000 0.451 153 D N 3.808 123.960 120.400 -0.414 0.000 2.422 153 D HA 0.174 4.815 4.640 0.001 0.000 0.227 153 D C 0.480 176.661 176.300 -0.197 0.000 1.190 153 D CA -0.177 53.700 54.000 -0.204 0.000 0.905 153 D CB 0.447 41.182 40.800 -0.109 0.000 1.034 153 D HN 0.533 nan 8.370 nan 0.000 0.507 154 W N 2.092 123.410 121.300 0.029 0.000 2.611 154 W HA 0.012 4.673 4.660 0.001 0.000 0.251 154 W C 2.054 178.647 176.519 0.123 0.000 1.265 154 W CA -0.038 57.366 57.345 0.098 0.000 1.295 154 W CB -0.100 29.388 29.460 0.046 0.000 1.129 154 W HN 0.531 nan 8.180 nan 0.000 0.630 155 E N -0.023 120.306 120.200 0.215 0.000 2.072 155 E HA -0.162 4.188 4.350 0.001 0.000 0.190 155 E C 1.733 178.386 176.600 0.088 0.000 0.982 155 E CA 1.712 58.194 56.400 0.137 0.000 0.803 155 E CB -0.039 29.713 29.700 0.088 0.000 0.755 155 E HN 0.102 nan 8.360 nan 0.000 0.453 156 T N 0.012 114.599 114.554 0.054 0.000 2.812 156 T HA -0.152 4.199 4.350 0.001 0.000 0.264 156 T C 1.429 176.136 174.700 0.011 0.000 1.042 156 T CA 1.208 63.311 62.100 0.005 0.000 1.140 156 T CB -0.456 68.394 68.868 -0.031 0.000 0.870 156 T HN 0.331 nan 8.240 nan 0.000 0.445 157 Y N 1.989 122.241 120.300 -0.080 0.000 2.097 157 Y HA -0.149 4.401 4.550 0.001 0.000 0.282 157 Y C 2.502 178.417 175.900 0.025 0.000 1.152 157 Y CA 1.866 59.926 58.100 -0.068 0.000 1.136 157 Y CB -0.303 38.093 38.460 -0.108 0.000 0.975 157 Y HN 0.223 nan 8.280 nan 0.000 0.498 158 E N -0.818 119.413 120.200 0.053 0.000 2.110 158 E HA -0.235 4.115 4.350 0.001 0.000 0.193 158 E C 2.431 178.974 176.600 -0.095 0.000 0.988 158 E CA 1.285 57.664 56.400 -0.035 0.000 0.804 158 E CB -0.340 29.437 29.700 0.129 0.000 0.745 158 E HN 0.479 nan 8.360 nan 0.000 0.458 159 S N 0.302 115.970 115.700 -0.053 0.000 2.348 159 S HA -0.238 4.233 4.470 0.001 0.000 0.221 159 S C 1.993 176.538 174.600 -0.093 0.000 1.033 159 S CA 1.762 59.928 58.200 -0.056 0.000 1.010 159 S CB -0.267 62.910 63.200 -0.038 0.000 0.891 159 S HN 0.436 nan 8.310 nan 0.000 0.442 160 E N -0.397 119.724 120.200 -0.131 0.000 2.152 160 E HA -0.085 4.266 4.350 0.001 0.000 0.192 160 E C 2.050 178.562 176.600 -0.146 0.000 0.983 160 E CA 0.899 57.220 56.400 -0.133 0.000 0.818 160 E CB -0.139 29.474 29.700 -0.145 0.000 0.758 160 E HN 0.401 nan 8.360 nan 0.000 0.467 161 M N 0.483 119.928 119.600 -0.259 0.000 2.279 161 M HA -0.064 4.416 4.480 0.001 0.000 0.264 161 M C 2.156 178.379 176.300 -0.129 0.000 1.062 161 M CA 1.260 56.402 55.300 -0.263 0.000 1.099 161 M CB -0.779 31.532 32.600 -0.481 0.000 1.394 161 M HN 0.269 nan 8.290 nan 0.000 0.426 162 A N -0.074 122.687 122.820 -0.098 0.000 2.235 162 A HA 0.174 4.494 4.320 0.001 0.000 0.208 162 A C 1.291 178.862 177.584 -0.022 0.000 1.172 162 A CA 0.918 52.927 52.037 -0.047 0.000 0.786 162 A CB -0.372 18.607 19.000 -0.035 0.000 0.804 162 A HN 0.376 nan 8.150 nan 0.000 0.479 163 V N -4.308 115.596 119.914 -0.017 0.000 2.864 163 V HA 0.328 4.448 4.120 0.001 0.000 0.378 163 V C 0.192 176.309 176.094 0.038 0.000 1.346 163 V CA 0.123 62.434 62.300 0.018 0.000 1.328 163 V CB -0.394 31.452 31.823 0.038 0.000 1.361 163 V HN 0.105 nan 8.190 nan 0.000 0.641 164 S N 0.881 116.592 115.700 0.018 0.000 2.618 164 S HA 0.130 4.600 4.470 0.001 0.000 0.242 164 S C 1.295 175.920 174.600 0.041 0.000 0.972 164 S CA -0.086 58.136 58.200 0.037 0.000 1.004 164 S CB -0.211 62.996 63.200 0.012 0.000 0.778 164 S HN 0.655 nan 8.310 nan 0.000 0.459 165 D N 2.330 122.752 120.400 0.037 0.000 2.133 165 D HA -0.174 4.466 4.640 0.001 0.000 0.195 165 D C 2.044 178.360 176.300 0.026 0.000 0.997 165 D CA 1.037 55.056 54.000 0.032 0.000 0.840 165 D CB 0.023 40.837 40.800 0.023 0.000 0.947 165 D HN 0.406 nan 8.370 nan 0.000 0.452 166 R N 0.697 121.210 120.500 0.022 0.000 2.062 166 R HA -0.097 4.243 4.340 0.001 0.000 0.231 166 R C 1.966 178.261 176.300 -0.009 0.000 1.136 166 R CA 1.169 57.270 56.100 0.001 0.000 0.948 166 R CB 0.021 30.316 30.300 -0.009 0.000 0.845 166 R HN 0.039 nan 8.270 nan 0.000 0.430 167 N N 0.697 119.409 118.700 0.021 0.000 2.223 167 N HA -0.150 4.591 4.740 0.001 0.000 0.185 167 N C 1.796 177.286 175.510 -0.033 0.000 1.016 167 N CA 1.031 54.081 53.050 -0.000 0.000 0.863 167 N CB -0.091 38.448 38.487 0.087 0.000 0.983 167 N HN 0.287 nan 8.380 nan 0.000 0.429 168 L N 0.067 121.292 121.223 0.004 0.000 2.141 168 L HA -0.093 4.247 4.340 0.001 0.000 0.209 168 L C 2.481 179.394 176.870 0.072 0.000 1.094 168 L CA 0.664 55.514 54.840 0.016 0.000 0.763 168 L CB -0.309 41.799 42.059 0.081 0.000 0.908 168 L HN 0.123 nan 8.230 nan 0.000 0.437 169 S N 0.160 115.882 115.700 0.036 0.000 2.355 169 S HA -0.138 4.332 4.470 0.001 0.000 0.222 169 S C 2.002 176.541 174.600 -0.100 0.000 1.031 169 S CA 1.097 59.304 58.200 0.011 0.000 0.993 169 S CB -0.183 62.996 63.200 -0.035 0.000 0.859 169 S HN 0.316 nan 8.310 nan 0.000 0.453 170 L N 1.145 122.250 121.223 -0.196 0.000 2.042 170 L HA -0.100 4.241 4.340 0.001 0.000 0.210 170 L C 2.967 179.684 176.870 -0.255 0.000 1.076 170 L CA 1.340 55.972 54.840 -0.347 0.000 0.749 170 L CB -0.746 41.132 42.059 -0.303 0.000 0.893 170 L HN 0.432 nan 8.230 nan 0.000 0.432 171 A N -1.123 121.586 122.820 -0.186 0.000 1.930 171 A HA -0.200 4.120 4.320 0.001 0.000 0.217 171 A C 2.138 179.622 177.584 -0.168 0.000 1.175 171 A CA 1.205 53.129 52.037 -0.188 0.000 0.627 171 A CB -0.675 18.190 19.000 -0.224 0.000 0.815 171 A HN 0.400 nan 8.150 nan 0.000 0.443 172 H N -1.764 117.267 119.070 -0.065 0.000 2.357 172 H HA -0.088 4.468 4.556 0.001 0.000 0.301 172 H C 2.075 177.399 175.328 -0.006 0.000 1.082 172 H CA 2.038 58.068 56.048 -0.029 0.000 1.342 172 H CB -0.251 29.495 29.762 -0.027 0.000 1.389 172 H HN 0.488 nan 8.280 nan 0.000 0.511 173 M N 0.764 120.407 119.600 0.072 0.000 2.067 173 M HA -0.098 4.383 4.480 0.001 0.000 0.260 173 M C 2.341 178.739 176.300 0.164 0.000 1.069 173 M CA 1.222 56.583 55.300 0.103 0.000 1.117 173 M CB -0.778 31.771 32.600 -0.084 0.000 1.334 173 M HN 0.111 nan 8.290 nan 0.000 0.407 174 L N -0.911 120.325 121.223 0.022 0.000 2.051 174 L HA -0.307 4.033 4.340 0.001 0.000 0.214 174 L C 2.671 179.612 176.870 0.119 0.000 1.076 174 L CA 1.821 56.696 54.840 0.058 0.000 0.758 174 L CB -0.735 41.307 42.059 -0.028 0.000 0.890 174 L HN 0.357 nan 8.230 nan 0.000 0.433 175 R N 0.082 120.628 120.500 0.076 0.000 2.073 175 R HA -0.180 4.160 4.340 0.001 0.000 0.234 175 R C 2.653 179.012 176.300 0.099 0.000 1.134 175 R CA 1.795 57.938 56.100 0.072 0.000 0.952 175 R CB -0.225 30.099 30.300 0.040 0.000 0.850 175 R HN 0.469 nan 8.270 nan 0.000 0.433 176 S N -0.868 114.904 115.700 0.120 0.000 2.419 176 S HA -0.176 4.295 4.470 0.001 0.000 0.235 176 S C 1.403 175.985 174.600 -0.030 0.000 1.019 176 S CA 0.974 59.201 58.200 0.045 0.000 0.982 176 S CB -0.319 62.903 63.200 0.036 0.000 0.789 176 S HN 0.463 nan 8.310 nan 0.000 0.490 177 Y N 1.693 122.028 120.300 0.060 0.000 2.457 177 Y HA 0.413 4.963 4.550 0.001 0.000 0.263 177 Y C 1.849 177.796 175.900 0.078 0.000 1.164 177 Y CA -0.226 57.919 58.100 0.075 0.000 1.274 177 Y CB 0.051 38.571 38.460 0.101 0.000 1.097 177 Y HN 0.432 nan 8.280 nan 0.000 0.523 178 G N -0.412 108.486 108.800 0.163 0.000 2.136 178 G HA2 -0.270 3.690 3.960 0.001 0.000 0.242 178 G HA3 -0.270 3.690 3.960 0.001 0.000 0.242 178 G C 0.760 175.743 174.900 0.139 0.000 0.989 178 G CA 0.547 45.719 45.100 0.120 0.000 0.682 178 G HN 0.251 nan 8.290 nan 0.000 0.522 179 V N -0.147 119.854 119.914 0.145 0.000 2.992 179 V HA 0.345 4.466 4.120 0.001 0.000 0.250 179 V C 1.421 177.555 176.094 0.068 0.000 1.090 179 V CA 1.093 63.460 62.300 0.111 0.000 1.101 179 V CB 0.110 31.988 31.823 0.093 0.000 0.743 179 V HN 0.395 nan 8.190 nan 0.000 0.468 180 L N -0.080 121.176 121.223 0.056 0.000 2.346 180 L HA 0.404 4.744 4.340 0.001 0.000 0.276 180 L C 0.513 177.404 176.870 0.034 0.000 1.006 180 L CA -0.311 54.547 54.840 0.031 0.000 0.817 180 L CB 2.065 44.122 42.059 -0.002 0.000 1.272 180 L HN 0.076 nan 8.230 nan 0.000 0.421 181 Q N -0.029 119.790 119.800 0.032 0.000 2.387 181 Q HA 0.113 4.454 4.340 0.001 0.000 0.212 181 Q C 0.003 176.017 176.000 0.024 0.000 0.925 181 Q CA 0.507 56.328 55.803 0.031 0.000 0.901 181 Q CB 0.504 29.262 28.738 0.033 0.000 1.020 181 Q HN 0.538 nan 8.270 nan 0.000 0.545 182 D N 0.528 120.942 120.400 0.023 0.000 2.414 182 D HA 0.113 4.753 4.640 0.001 0.000 0.259 182 D C 0.215 176.515 176.300 -0.000 0.000 1.269 182 D CA 0.136 54.147 54.000 0.019 0.000 1.028 182 D CB 0.504 41.322 40.800 0.030 0.000 1.093 182 D HN 0.150 nan 8.370 nan 0.000 0.545 183 S N -0.971 114.727 115.700 -0.003 0.000 2.593 183 S HA 0.336 4.806 4.470 0.001 0.000 0.269 183 S C 1.040 175.587 174.600 -0.088 0.000 1.334 183 S CA -0.184 57.999 58.200 -0.029 0.000 1.015 183 S CB 1.458 64.657 63.200 -0.001 0.000 0.912 183 S HN 0.488 nan 8.310 nan 0.000 0.541 184 A N 1.767 124.464 122.820 -0.205 0.000 1.883 184 A HA -0.101 4.220 4.320 0.001 0.000 0.217 184 A C 2.220 179.704 177.584 -0.165 0.000 1.186 184 A CA 1.457 53.290 52.037 -0.340 0.000 0.624 184 A CB -0.923 17.510 19.000 -0.944 0.000 0.822 184 A HN 0.902 nan 8.150 nan 0.000 0.444 185 E N -0.296 119.852 120.200 -0.087 0.000 2.058 185 E HA -0.241 4.110 4.350 0.001 0.000 0.194 185 E C 1.986 178.588 176.600 0.004 0.000 0.997 185 E CA 1.463 57.855 56.400 -0.014 0.000 0.801 185 E CB -0.484 29.229 29.700 0.022 0.000 0.746 185 E HN 0.864 nan 8.360 nan 0.000 0.450 186 E N 0.459 120.662 120.200 0.004 0.000 2.023 186 E HA -0.187 4.164 4.350 0.001 0.000 0.196 186 E C 2.149 178.750 176.600 0.002 0.000 1.003 186 E CA 0.985 57.399 56.400 0.023 0.000 0.809 186 E CB 0.027 29.744 29.700 0.028 0.000 0.755 186 E HN 0.061 nan 8.360 nan 0.000 0.449 187 I N 1.099 121.654 120.570 -0.026 0.000 2.163 187 I HA -0.227 3.943 4.170 0.001 0.000 0.243 187 I C 2.597 178.660 176.117 -0.090 0.000 1.085 187 I CA 0.862 62.125 61.300 -0.062 0.000 1.347 187 I CB -1.240 36.730 38.000 -0.051 0.000 1.044 187 I HN 0.125 nan 8.210 nan 0.000 0.408 188 V N 1.355 121.246 119.914 -0.039 0.000 2.407 188 V HA -0.248 3.872 4.120 0.001 0.000 0.248 188 V C 2.818 178.954 176.094 0.071 0.000 1.055 188 V CA 1.688 64.007 62.300 0.032 0.000 1.049 188 V CB -1.077 30.757 31.823 0.019 0.000 0.662 188 V HN 0.460 nan 8.190 nan 0.000 0.455 189 A N 0.541 123.401 122.820 0.068 0.000 1.877 189 A HA -0.098 4.222 4.320 0.001 0.000 0.216 189 A C 2.450 180.122 177.584 0.147 0.000 1.186 189 A CA 1.963 54.109 52.037 0.182 0.000 0.620 189 A CB -1.282 17.843 19.000 0.208 0.000 0.822 189 A HN 0.516 nan 8.150 nan 0.000 0.443 190 G N -1.664 107.112 108.800 -0.040 0.000 2.440 190 G HA2 -0.292 3.668 3.960 0.001 0.000 0.218 190 G HA3 -0.292 3.668 3.960 0.001 0.000 0.218 190 G C 1.572 176.294 174.900 -0.296 0.000 1.154 190 G CA 1.367 46.337 45.100 -0.216 0.000 0.767 190 G HN 0.609 nan 8.290 nan 0.000 0.552 191 Y N 1.366 121.398 120.300 -0.447 0.000 2.200 191 Y HA -0.077 4.473 4.550 0.001 0.000 0.290 191 Y C 2.737 178.622 175.900 -0.025 0.000 1.137 191 Y CA 1.395 59.384 58.100 -0.186 0.000 1.163 191 Y CB -0.359 38.020 38.460 -0.134 0.000 0.988 191 Y HN 0.034 nan 8.280 nan 0.000 0.518 192 V N 0.672 120.513 119.914 -0.121 0.000 2.407 192 V HA -0.285 3.836 4.120 0.001 0.000 0.248 192 V C 2.680 178.755 176.094 -0.032 0.000 1.055 192 V CA 1.674 63.887 62.300 -0.144 0.000 1.049 192 V CB -1.623 30.197 31.823 -0.005 0.000 0.662 192 V HN 0.559 nan 8.190 nan 0.000 0.455 193 A N -0.501 122.338 122.820 0.031 0.000 1.898 193 A HA -0.276 4.044 4.320 0.001 0.000 0.216 193 A C 2.277 179.731 177.584 -0.217 0.000 1.181 193 A CA 1.854 53.762 52.037 -0.215 0.000 0.620 193 A CB -0.565 18.210 19.000 -0.375 0.000 0.819 193 A HN 0.577 nan 8.150 nan 0.000 0.442 194 Q N -0.508 119.227 119.800 -0.109 0.000 2.112 194 Q HA -0.255 4.085 4.340 0.001 0.000 0.206 194 Q C 2.002 177.927 176.000 -0.124 0.000 0.987 194 Q CA 2.333 58.105 55.803 -0.051 0.000 0.858 194 Q CB -0.425 28.372 28.738 0.099 0.000 0.905 194 Q HN 0.659 nan 8.270 nan 0.000 0.420 195 C N -0.081 119.080 119.300 -0.231 0.000 2.448 195 C HA 0.109 4.569 4.460 0.001 0.000 0.280 195 C C 2.437 177.336 174.990 -0.153 0.000 1.398 195 C CA 0.535 59.423 59.018 -0.217 0.000 1.774 195 C CB -0.939 26.586 27.740 -0.359 0.000 1.888 195 C HN 0.624 nan 8.230 nan 0.000 0.519 196 A N -0.025 122.688 122.820 -0.180 0.000 2.251 196 A HA 0.299 4.619 4.320 0.001 0.000 0.209 196 A C 0.788 178.234 177.584 -0.229 0.000 1.187 196 A CA 0.295 52.219 52.037 -0.188 0.000 0.823 196 A CB -0.237 18.637 19.000 -0.211 0.000 0.846 196 A HN 0.320 nan 8.150 nan 0.000 0.486 197 V N 1.207 120.994 119.914 -0.211 0.000 2.599 197 V HA 0.036 4.156 4.120 0.001 0.000 0.300 197 V C 0.306 176.273 176.094 -0.212 0.000 1.034 197 V CA 0.312 62.485 62.300 -0.213 0.000 1.115 197 V CB 0.677 32.399 31.823 -0.169 0.000 0.934 197 V HN 0.423 nan 8.190 nan 0.000 0.485 198 L N 6.717 127.801 121.223 -0.231 0.000 2.281 198 L HA 0.551 4.891 4.340 0.001 0.000 0.285 198 L C -0.105 176.552 176.870 -0.354 0.000 1.074 198 L CA -0.100 54.569 54.840 -0.285 0.000 0.817 198 L CB 1.115 43.039 42.059 -0.224 0.000 1.168 198 L HN 0.649 nan 8.230 nan 0.000 0.434 199 V N -0.228 119.342 119.914 -0.573 0.000 3.130 199 V HA 0.830 4.951 4.120 0.001 0.000 0.310 199 V C -0.081 175.463 176.094 -0.917 0.000 1.158 199 V CA -0.623 61.322 62.300 -0.591 0.000 1.029 199 V CB 1.883 33.431 31.823 -0.458 0.000 1.057 199 V HN 0.716 nan 8.190 nan 0.000 0.436 200 T N -1.461 112.778 114.554 -0.525 0.000 2.949 200 T HA 0.570 4.921 4.350 0.001 0.000 0.287 200 T C 0.962 175.617 174.700 -0.075 0.000 1.034 200 T CA -0.014 61.871 62.100 -0.358 0.000 1.018 200 T CB 1.514 70.284 68.868 -0.163 0.000 1.135 200 T HN 0.730 nan 8.240 nan 0.000 0.532 201 V N 1.305 121.316 119.914 0.161 0.000 2.392 201 V HA -0.165 3.956 4.120 0.001 0.000 0.249 201 V C 2.693 178.862 176.094 0.125 0.000 1.059 201 V CA 1.814 64.260 62.300 0.244 0.000 1.051 201 V CB -0.933 31.049 31.823 0.263 0.000 0.658 201 V HN 0.879 nan 8.190 nan 0.000 0.455 202 K N -0.324 120.113 120.400 0.061 0.000 2.211 202 K HA -0.133 4.188 4.320 0.001 0.000 0.203 202 K C 1.828 178.430 176.600 0.003 0.000 1.050 202 K CA 1.267 57.572 56.287 0.031 0.000 0.945 202 K CB -0.226 32.281 32.500 0.012 0.000 0.732 202 K HN 0.539 nan 8.250 nan 0.000 0.451 203 D N 1.300 121.680 120.400 -0.033 0.000 2.084 203 D HA -0.125 4.516 4.640 0.001 0.000 0.196 203 D C 2.064 178.340 176.300 -0.040 0.000 0.985 203 D CA 0.939 54.899 54.000 -0.068 0.000 0.826 203 D CB -0.149 40.567 40.800 -0.140 0.000 0.978 203 D HN 0.105 nan 8.370 nan 0.000 0.456 204 L N 1.099 122.330 121.223 0.014 0.000 1.990 204 L HA -0.233 4.107 4.340 0.001 0.000 0.213 204 L C 2.703 179.637 176.870 0.108 0.000 1.072 204 L CA 1.400 56.297 54.840 0.095 0.000 0.755 204 L CB -0.553 41.620 42.059 0.191 0.000 0.889 204 L HN -0.011 nan 8.230 nan 0.000 0.432 205 A N -0.504 122.372 122.820 0.094 0.000 1.908 205 A HA -0.172 4.149 4.320 0.001 0.000 0.218 205 A C 2.272 179.879 177.584 0.040 0.000 1.181 205 A CA 2.033 54.119 52.037 0.081 0.000 0.627 205 A CB -0.828 18.217 19.000 0.075 0.000 0.818 205 A HN 0.257 nan 8.150 nan 0.000 0.445 206 V N -0.511 119.406 119.914 0.005 0.000 2.548 206 V HA -0.251 3.870 4.120 0.001 0.000 0.249 206 V C 2.557 178.603 176.094 -0.080 0.000 1.055 206 V CA 2.064 64.333 62.300 -0.052 0.000 1.065 206 V CB -0.669 31.132 31.823 -0.036 0.000 0.681 206 V HN 0.571 nan 8.190 nan 0.000 0.462 207 M N 0.383 119.966 119.600 -0.028 0.000 2.200 207 M HA -0.010 4.471 4.480 0.001 0.000 0.265 207 M C 2.222 178.648 176.300 0.210 0.000 1.066 207 M CA 1.910 57.214 55.300 0.006 0.000 1.127 207 M CB -0.696 31.794 32.600 -0.184 0.000 1.379 207 M HN 0.438 nan 8.290 nan 0.000 0.420 208 G N -0.225 108.689 108.800 0.189 0.000 2.421 208 G HA2 -0.038 3.922 3.960 0.001 0.000 0.217 208 G HA3 -0.038 3.922 3.960 0.001 0.000 0.217 208 G C 1.627 176.574 174.900 0.079 0.000 1.143 208 G CA 0.800 45.997 45.100 0.162 0.000 0.784 208 G HN 0.515 nan 8.290 nan 0.000 0.541 209 A N 0.203 123.039 122.820 0.027 0.000 1.930 209 A HA -0.049 4.271 4.320 0.001 0.000 0.217 209 A C 2.537 180.100 177.584 -0.034 0.000 1.175 209 A CA 1.660 53.688 52.037 -0.015 0.000 0.627 209 A CB -0.943 18.024 19.000 -0.056 0.000 0.815 209 A HN 0.407 nan 8.150 nan 0.000 0.443 210 C N -0.569 118.694 119.300 -0.063 0.000 2.413 210 C HA -0.094 4.367 4.460 0.001 0.000 0.277 210 C C 2.606 177.606 174.990 0.017 0.000 1.265 210 C CA 1.050 60.038 59.018 -0.050 0.000 1.752 210 C CB -1.575 26.139 27.740 -0.044 0.000 1.998 210 C HN 0.619 nan 8.230 nan 0.000 0.489 211 L N 1.081 122.333 121.223 0.048 0.000 2.072 211 L HA -0.085 4.255 4.340 0.001 0.000 0.205 211 L C 2.905 179.791 176.870 0.025 0.000 1.079 211 L CA 1.512 56.374 54.840 0.038 0.000 0.752 211 L CB -0.835 41.241 42.059 0.029 0.000 0.906 211 L HN 0.296 nan 8.230 nan 0.000 0.436 212 A N 0.200 123.035 122.820 0.025 0.000 1.972 212 A HA -0.185 4.135 4.320 0.001 0.000 0.219 212 A C 2.353 179.949 177.584 0.019 0.000 1.169 212 A CA 2.067 54.118 52.037 0.023 0.000 0.635 212 A CB -0.851 18.164 19.000 0.026 0.000 0.810 212 A HN 0.530 nan 8.150 nan 0.000 0.446 213 T N -4.655 109.908 114.554 0.014 0.000 3.088 213 T HA 0.378 4.728 4.350 0.001 0.000 0.259 213 T C 1.374 176.086 174.700 0.020 0.000 1.122 213 T CA 1.178 63.287 62.100 0.015 0.000 1.095 213 T CB 0.101 68.975 68.868 0.009 0.000 0.930 213 T HN 1.654 nan 8.240 nan 0.000 0.508 214 G N 0.044 108.858 108.800 0.022 0.000 2.163 214 G HA2 0.216 4.177 3.960 0.001 0.000 0.213 214 G HA3 0.216 4.177 3.960 0.001 0.000 0.213 214 G C 0.896 175.813 174.900 0.028 0.000 0.991 214 G CA 0.132 45.247 45.100 0.025 0.000 0.653 214 G HN 1.697 nan 8.290 nan 0.000 0.518 215 G N -1.109 107.707 108.800 0.028 0.000 2.205 215 G HA2 -0.098 3.862 3.960 0.001 0.000 0.180 215 G HA3 -0.098 3.862 3.960 0.001 0.000 0.180 215 G C 0.212 175.136 174.900 0.040 0.000 1.004 215 G CA 0.038 45.158 45.100 0.035 0.000 0.670 215 G HN 1.149 nan 8.290 nan 0.000 0.496 216 I N 2.384 122.974 120.570 0.034 0.000 2.342 216 I HA 0.299 4.469 4.170 0.001 0.000 0.291 216 I C 0.755 176.903 176.117 0.052 0.000 1.010 216 I CA -1.050 60.279 61.300 0.050 0.000 1.308 216 I CB 0.936 38.961 38.000 0.042 0.000 1.400 216 I HN 0.084 nan 8.210 nan 0.000 0.488 217 H N 9.244 128.323 119.070 0.015 0.000 2.848 217 H HA 0.107 4.663 4.556 0.001 0.000 0.317 217 H C -1.686 173.645 175.328 0.006 0.000 1.046 217 H CA -1.696 54.358 56.048 0.010 0.000 1.470 217 H CB 1.538 31.301 29.762 0.001 0.000 1.483 217 H HN 0.392 nan 8.280 nan 0.000 0.548 218 P HA -0.122 nan 4.420 nan 0.000 0.223 218 P C 1.243 178.644 177.300 0.169 0.000 1.151 218 P CA 0.873 64.019 63.100 0.078 0.000 0.787 218 P CB 0.401 32.087 31.700 -0.024 0.000 0.788 219 M N -0.603 119.228 119.600 0.386 0.000 2.476 219 M HA 0.044 4.525 4.480 0.001 0.000 0.262 219 M C 1.756 178.090 176.300 0.056 0.000 1.111 219 M CA 1.637 57.041 55.300 0.173 0.000 1.127 219 M CB -1.384 31.303 32.600 0.146 0.000 1.376 219 M HN 0.118 nan 8.290 nan 0.000 0.465 220 T N -4.832 109.756 114.554 0.057 0.000 2.954 220 T HA 0.384 4.734 4.350 0.001 0.000 0.252 220 T C 1.429 176.144 174.700 0.025 0.000 0.983 220 T CA 0.856 62.946 62.100 -0.016 0.000 0.941 220 T CB 0.508 69.309 68.868 -0.112 0.000 1.141 220 T HN 0.439 nan 8.240 nan 0.000 0.500 221 G N 1.556 110.400 108.800 0.073 0.000 2.179 221 G HA2 -0.266 3.695 3.960 0.001 0.000 0.260 221 G HA3 -0.266 3.695 3.960 0.001 0.000 0.260 221 G C -0.169 174.762 174.900 0.051 0.000 0.977 221 G CA 0.363 45.497 45.100 0.057 0.000 0.641 221 G HN 0.900 nan 8.290 nan 0.000 0.533 222 E N 0.358 120.591 120.200 0.055 0.000 2.283 222 E HA 0.443 4.794 4.350 0.001 0.000 0.278 222 E C 0.698 177.338 176.600 0.067 0.000 1.027 222 E CA -0.916 55.510 56.400 0.042 0.000 0.843 222 E CB 0.422 30.130 29.700 0.014 0.000 1.062 222 E HN 0.359 nan 8.360 nan 0.000 0.401 223 R N 4.914 125.443 120.500 0.048 0.000 2.370 223 R HA 0.028 4.369 4.340 0.001 0.000 0.309 223 R C 0.742 177.073 176.300 0.052 0.000 1.059 223 R CA -0.085 56.044 56.100 0.049 0.000 0.981 223 R CB 0.439 30.760 30.300 0.035 0.000 0.972 223 R HN 0.654 nan 8.270 nan 0.000 0.437 224 M N 4.237 123.877 119.600 0.065 0.000 2.516 224 M HA 0.198 4.678 4.480 0.001 0.000 0.259 224 M C -0.072 176.258 176.300 0.049 0.000 1.146 224 M CA 0.648 55.986 55.300 0.064 0.000 1.122 224 M CB -0.120 32.536 32.600 0.093 0.000 1.341 224 M HN 0.496 nan 8.290 nan 0.000 0.478 225 L N 0.455 121.705 121.223 0.045 0.000 2.465 225 L HA 0.447 4.787 4.340 0.001 0.000 0.257 225 L C -2.480 174.411 176.870 0.035 0.000 0.988 225 L CA -1.843 53.019 54.840 0.037 0.000 0.827 225 L CB 2.772 44.855 42.059 0.039 0.000 1.397 225 L HN -0.154 nan 8.230 nan 0.000 0.410 226 P HA 0.063 nan 4.420 nan 0.000 0.276 226 P C 0.528 177.854 177.300 0.044 0.000 1.235 226 P CA -0.268 62.856 63.100 0.041 0.000 0.772 226 P CB 1.427 33.158 31.700 0.052 0.000 0.871 227 S N 3.328 119.050 115.700 0.036 0.000 2.407 227 S HA -0.239 4.231 4.470 0.001 0.000 0.235 227 S C 1.745 176.370 174.600 0.042 0.000 1.036 227 S CA 1.164 59.384 58.200 0.034 0.000 1.013 227 S CB -1.150 62.065 63.200 0.025 0.000 0.820 227 S HN 0.401 nan 8.310 nan 0.000 0.476 228 I N 1.291 121.891 120.570 0.051 0.000 2.315 228 I HA -0.016 4.155 4.170 0.001 0.000 0.248 228 I C 2.228 178.452 176.117 0.178 0.000 1.117 228 I CA 0.822 62.162 61.300 0.066 0.000 1.404 228 I CB -0.256 37.751 38.000 0.012 0.000 1.071 228 I HN 0.208 nan 8.210 nan 0.000 0.419 229 V N 0.776 120.790 119.914 0.166 0.000 2.453 229 V HA -0.151 3.970 4.120 0.001 0.000 0.247 229 V C 2.644 178.744 176.094 0.010 0.000 1.048 229 V CA 1.506 63.863 62.300 0.096 0.000 1.049 229 V CB -1.149 30.672 31.823 -0.003 0.000 0.672 229 V HN 0.523 nan 8.190 nan 0.000 0.457 230 A N -0.118 122.717 122.820 0.025 0.000 1.930 230 A HA -0.205 4.115 4.320 0.001 0.000 0.217 230 A C 2.396 179.992 177.584 0.021 0.000 1.175 230 A CA 1.740 53.785 52.037 0.013 0.000 0.627 230 A CB -0.512 18.503 19.000 0.023 0.000 0.815 230 A HN 0.446 nan 8.150 nan 0.000 0.443 231 R N -0.684 119.841 120.500 0.040 0.000 2.081 231 R HA -0.188 4.153 4.340 0.001 0.000 0.235 231 R C 2.407 178.741 176.300 0.056 0.000 1.131 231 R CA 1.797 57.922 56.100 0.043 0.000 0.960 231 R CB -0.194 30.130 30.300 0.040 0.000 0.856 231 R HN 0.405 nan 8.270 nan 0.000 0.436 232 R N 0.316 120.866 120.500 0.083 0.000 2.081 232 R HA -0.070 4.270 4.340 0.001 0.000 0.235 232 R C 1.971 178.319 176.300 0.080 0.000 1.131 232 R CA 1.733 57.894 56.100 0.101 0.000 0.960 232 R CB -0.845 29.535 30.300 0.133 0.000 0.856 232 R HN 0.124 nan 8.270 nan 0.000 0.436 233 V N -0.164 119.759 119.914 0.016 0.000 2.295 233 V HA -0.201 3.919 4.120 0.001 0.000 0.246 233 V C 2.310 178.428 176.094 0.040 0.000 1.049 233 V CA 1.821 64.157 62.300 0.061 0.000 1.024 233 V CB -0.376 31.432 31.823 -0.024 0.000 0.648 233 V HN 0.198 nan 8.190 nan 0.000 0.447 234 V N -0.525 119.398 119.914 0.016 0.000 2.515 234 V HA -0.211 3.910 4.120 0.001 0.000 0.250 234 V C 2.540 178.648 176.094 0.022 0.000 1.058 234 V CA 2.085 64.391 62.300 0.009 0.000 1.064 234 V CB -0.523 31.308 31.823 0.014 0.000 0.675 234 V HN 0.523 nan 8.190 nan 0.000 0.461 235 S N -0.157 115.567 115.700 0.040 0.000 2.368 235 S HA -0.145 4.325 4.470 0.001 0.000 0.225 235 S C 1.961 176.582 174.600 0.034 0.000 1.030 235 S CA 1.483 59.708 58.200 0.042 0.000 0.999 235 S CB -0.094 63.140 63.200 0.058 0.000 0.844 235 S HN 0.402 nan 8.310 nan 0.000 0.459 236 V N 1.630 121.574 119.914 0.050 0.000 2.719 236 V HA -0.052 4.068 4.120 0.001 0.000 0.252 236 V C 2.099 178.158 176.094 -0.059 0.000 1.065 236 V CA 1.215 63.520 62.300 0.008 0.000 1.086 236 V CB -0.543 31.307 31.823 0.045 0.000 0.700 236 V HN 0.467 nan 8.190 nan 0.000 0.467 237 M N -0.352 119.219 119.600 -0.049 0.000 2.117 237 M HA -0.168 4.313 4.480 0.001 0.000 0.262 237 M C 2.248 178.500 176.300 -0.080 0.000 1.065 237 M CA 2.058 57.302 55.300 -0.093 0.000 1.114 237 M CB -0.595 31.962 32.600 -0.071 0.000 1.361 237 M HN 0.358 nan 8.290 nan 0.000 0.408 238 T N 0.016 114.558 114.554 -0.021 0.000 2.812 238 T HA -0.089 4.261 4.350 0.001 0.000 0.264 238 T C 1.928 176.631 174.700 0.005 0.000 1.042 238 T CA 1.797 63.909 62.100 0.020 0.000 1.140 238 T CB -0.286 68.608 68.868 0.042 0.000 0.870 238 T HN 0.542 nan 8.240 nan 0.000 0.445 239 S N 0.676 116.365 115.700 -0.017 0.000 2.446 239 S HA 0.081 4.552 4.470 0.001 0.000 0.225 239 S C 1.855 176.413 174.600 -0.069 0.000 1.016 239 S CA 0.628 58.815 58.200 -0.022 0.000 0.943 239 S CB -0.017 63.175 63.200 -0.012 0.000 0.786 239 S HN 0.313 nan 8.310 nan 0.000 0.508 240 S N 0.039 115.659 115.700 -0.133 0.000 2.687 240 S HA 0.373 4.843 4.470 0.001 0.000 0.247 240 S C 1.759 176.106 174.600 -0.420 0.000 1.050 240 S CA 0.016 58.078 58.200 -0.229 0.000 1.063 240 S CB 0.300 63.373 63.200 -0.212 0.000 1.039 240 S HN 0.609 nan 8.310 nan 0.000 0.580 241 G N 2.202 110.784 108.800 -0.363 0.000 2.469 241 G HA2 -0.167 3.794 3.960 0.001 0.000 0.220 241 G HA3 -0.167 3.794 3.960 0.001 0.000 0.220 241 G C 1.030 175.563 174.900 -0.612 0.000 1.136 241 G CA 0.905 45.728 45.100 -0.462 0.000 0.759 241 G HN 0.371 nan 8.290 nan 0.000 0.562 242 M N -0.057 119.261 119.600 -0.470 0.000 2.475 242 M HA 0.340 4.821 4.480 0.001 0.000 0.261 242 M C 0.186 176.504 176.300 0.031 0.000 1.177 242 M CA -1.393 53.747 55.300 -0.267 0.000 0.979 242 M CB -1.273 31.134 32.600 -0.322 0.000 1.482 242 M HN 0.352 nan 8.290 nan 0.000 0.484 243 Y N -0.317 119.926 120.300 -0.095 0.000 2.896 243 Y HA -0.419 4.132 4.550 0.001 0.000 0.466 243 Y C 1.389 177.269 175.900 -0.034 0.000 1.196 243 Y CA 1.251 59.315 58.100 -0.060 0.000 2.514 243 Y CB -1.540 36.886 38.460 -0.056 0.000 1.231 243 Y HN 0.194 nan 8.280 nan 0.000 0.632 244 D N 0.372 120.881 120.400 0.182 0.000 2.351 244 D HA 0.048 4.688 4.640 0.001 0.000 0.216 244 D C 1.480 177.830 176.300 0.084 0.000 0.968 244 D CA 1.296 55.350 54.000 0.090 0.000 0.899 244 D CB -0.367 40.468 40.800 0.058 0.000 0.907 244 D HN 0.530 nan 8.370 nan 0.000 0.514 245 A N 0.057 122.942 122.820 0.108 0.000 2.379 245 A HA 0.452 4.773 4.320 0.001 0.000 0.236 245 A C 2.049 179.720 177.584 0.144 0.000 1.272 245 A CA 0.561 52.668 52.037 0.117 0.000 0.886 245 A CB 0.125 19.201 19.000 0.126 0.000 0.962 245 A HN 0.121 nan 8.150 nan 0.000 0.504 246 A N 0.151 123.033 122.820 0.103 0.000 1.883 246 A HA 0.073 4.393 4.320 0.001 0.000 0.217 246 A C 2.316 179.994 177.584 0.157 0.000 1.186 246 A CA 1.938 54.042 52.037 0.111 0.000 0.624 246 A CB -1.224 17.795 19.000 0.032 0.000 0.822 246 A HN 0.725 nan 8.150 nan 0.000 0.444 247 G N -0.836 108.030 108.800 0.109 0.000 2.446 247 G HA2 -0.325 3.636 3.960 0.001 0.000 0.217 247 G HA3 -0.325 3.636 3.960 0.001 0.000 0.217 247 G C 1.623 176.593 174.900 0.117 0.000 1.168 247 G CA 1.438 46.596 45.100 0.097 0.000 0.771 247 G HN 0.587 nan 8.290 nan 0.000 0.551 248 Q N -0.522 119.355 119.800 0.127 0.000 2.061 248 Q HA -0.135 4.205 4.340 0.001 0.000 0.204 248 Q C 2.197 178.292 176.000 0.158 0.000 0.984 248 Q CA 1.763 57.641 55.803 0.125 0.000 0.846 248 Q CB -0.539 28.274 28.738 0.126 0.000 0.902 248 Q HN 0.652 nan 8.270 nan 0.000 0.421 249 W N 0.282 121.600 121.300 0.028 0.000 2.363 249 W HA -0.188 4.472 4.660 0.001 0.000 0.296 249 W C 1.536 178.062 176.519 0.011 0.000 1.212 249 W CA 1.310 58.667 57.345 0.020 0.000 1.260 249 W CB -0.316 29.151 29.460 0.011 0.000 1.131 249 W HN 0.401 nan 8.180 nan 0.000 0.530 250 L N 2.215 123.543 121.223 0.174 0.000 2.017 250 L HA -0.082 4.259 4.340 0.001 0.000 0.208 250 L C 2.559 179.469 176.870 0.066 0.000 1.073 250 L CA 3.156 58.039 54.840 0.071 0.000 0.745 250 L CB -1.372 40.758 42.059 0.118 0.000 0.894 250 L HN -0.048 nan 8.230 nan 0.000 0.432 251 A N -0.893 121.987 122.820 0.100 0.000 1.873 251 A HA -0.156 4.164 4.320 0.001 0.000 0.215 251 A C 1.962 179.621 177.584 0.125 0.000 1.186 251 A CA 1.734 53.849 52.037 0.130 0.000 0.616 251 A CB -0.708 18.331 19.000 0.064 0.000 0.823 251 A HN 0.549 nan 8.150 nan 0.000 0.442 252 D N -0.958 119.443 120.400 0.001 0.000 2.213 252 D HA 0.018 4.659 4.640 0.001 0.000 0.205 252 D C 1.805 178.014 176.300 -0.153 0.000 0.961 252 D CA 1.392 55.354 54.000 -0.063 0.000 0.853 252 D CB 0.179 40.924 40.800 -0.091 0.000 0.967 252 D HN 0.298 nan 8.370 nan 0.000 0.496 253 V N -0.888 118.790 119.914 -0.394 0.000 2.948 253 V HA 0.268 4.388 4.120 0.001 0.000 0.234 253 V C 1.505 177.208 176.094 -0.652 0.000 1.205 253 V CA 0.592 62.528 62.300 -0.606 0.000 1.234 253 V CB 0.075 31.069 31.823 -1.381 0.000 1.020 253 V HN 0.227 nan 8.190 nan 0.000 0.491 254 G N 1.438 109.774 108.800 -0.773 0.000 2.221 254 G HA2 -0.257 3.703 3.960 0.001 0.000 0.265 254 G HA3 -0.257 3.703 3.960 0.001 0.000 0.265 254 G C -0.126 174.500 174.900 -0.456 0.000 1.041 254 G CA 0.574 45.111 45.100 -0.939 0.000 0.807 254 G HN 0.496 nan 8.290 nan 0.000 0.502 255 I N 0.476 120.937 120.570 -0.181 0.000 2.410 255 I HA 0.285 4.456 4.170 0.001 0.000 0.286 255 I C -2.304 173.995 176.117 0.304 0.000 1.009 255 I CA -2.607 58.732 61.300 0.066 0.000 1.111 255 I CB 2.346 40.403 38.000 0.095 0.000 1.262 255 I HN -0.189 nan 8.210 nan 0.000 0.443 256 P HA 0.132 nan 4.420 nan 0.000 0.261 256 P C -0.729 176.638 177.300 0.112 0.000 1.203 256 P CA 0.282 63.455 63.100 0.122 0.000 0.767 256 P CB 0.602 32.334 31.700 0.053 0.000 0.785 257 A N 3.138 125.979 122.820 0.036 0.000 2.609 257 A HA 0.831 5.151 4.320 0.001 0.000 0.291 257 A C -1.231 176.245 177.584 -0.181 0.000 1.096 257 A CA -0.561 51.457 52.037 -0.032 0.000 0.684 257 A CB 1.717 20.763 19.000 0.078 0.000 1.282 257 A HN 0.295 nan 8.150 nan 0.000 0.412 258 K N 0.085 120.412 120.400 -0.122 0.000 2.565 258 K HA 0.584 4.905 4.320 0.001 0.000 0.251 258 K C -0.845 175.729 176.600 -0.045 0.000 0.956 258 K CA 0.072 56.282 56.287 -0.128 0.000 0.809 258 K CB 1.953 34.389 32.500 -0.107 0.000 1.267 258 K HN 0.935 nan 8.250 nan 0.000 0.438 259 S N 1.975 117.646 115.700 -0.048 0.000 2.617 259 S HA 0.833 5.303 4.470 0.001 0.000 0.283 259 S C -0.249 174.383 174.600 0.053 0.000 1.189 259 S CA -0.186 58.018 58.200 0.007 0.000 1.036 259 S CB 0.881 64.069 63.200 -0.019 0.000 1.014 259 S HN 0.702 nan 8.310 nan 0.000 0.522 260 G N 0.763 109.604 108.800 0.068 0.000 2.448 260 G HA2 0.468 4.429 3.960 0.001 0.000 0.324 260 G HA3 0.468 4.429 3.960 0.001 0.000 0.324 260 G C 0.646 175.583 174.900 0.062 0.000 1.203 260 G CA -0.399 44.754 45.100 0.089 0.000 0.954 260 G HN 1.290 nan 8.290 nan 0.000 0.480 261 V N -0.631 119.323 119.914 0.068 0.000 3.488 261 V HA 0.263 4.383 4.120 0.001 0.000 0.273 261 V C 1.740 177.846 176.094 0.019 0.000 1.209 261 V CA 1.661 63.990 62.300 0.049 0.000 1.179 261 V CB -0.355 31.515 31.823 0.079 0.000 0.842 261 V HN 0.809 nan 8.190 nan 0.000 0.515 262 A N -0.379 122.466 122.820 0.042 0.000 2.348 262 A HA 0.636 4.957 4.320 0.001 0.000 0.224 262 A C 1.866 179.482 177.584 0.053 0.000 1.227 262 A CA 0.766 52.846 52.037 0.070 0.000 0.885 262 A CB 0.112 19.208 19.000 0.161 0.000 0.933 262 A HN 1.493 nan 8.150 nan 0.000 0.506 263 G N -1.875 106.907 108.800 -0.031 0.000 2.296 263 G HA2 0.047 4.008 3.960 0.001 0.000 0.188 263 G HA3 0.047 4.008 3.960 0.001 0.000 0.188 263 G C 0.610 175.429 174.900 -0.135 0.000 1.000 263 G CA -0.021 45.014 45.100 -0.108 0.000 0.672 263 G HN 1.273 nan 8.290 nan 0.000 0.483 264 G N -0.300 108.361 108.800 -0.232 0.000 2.377 264 G HA2 0.658 4.619 3.960 0.001 0.000 0.299 264 G HA3 0.658 4.619 3.960 0.001 0.000 0.299 264 G C -0.535 174.402 174.900 0.061 0.000 1.150 264 G CA -0.009 45.004 45.100 -0.145 0.000 0.847 264 G HN 0.960 nan 8.290 nan 0.000 0.501 265 V N 3.168 123.150 119.914 0.114 0.000 2.588 265 V HA 0.426 4.546 4.120 0.001 0.000 0.304 265 V C -0.104 176.084 176.094 0.156 0.000 1.042 265 V CA -0.911 61.458 62.300 0.115 0.000 0.877 265 V CB 1.734 33.621 31.823 0.106 0.000 0.996 265 V HN 0.688 nan 8.190 nan 0.000 0.425 266 L N 3.786 125.090 121.223 0.134 0.000 2.309 266 L HA 0.921 5.261 4.340 0.001 0.000 0.282 266 L C 0.196 177.135 176.870 0.116 0.000 1.036 266 L CA 0.057 54.987 54.840 0.149 0.000 0.806 266 L CB 1.552 43.702 42.059 0.151 0.000 1.220 266 L HN 0.836 nan 8.230 nan 0.000 0.429 267 G N 2.938 111.818 108.800 0.132 0.000 2.638 267 G HA2 0.737 4.697 3.960 0.001 0.000 0.302 267 G HA3 0.737 4.697 3.960 0.001 0.000 0.302 267 G C -1.750 173.211 174.900 0.102 0.000 1.365 267 G CA -0.318 44.858 45.100 0.126 0.000 0.987 267 G HN 0.852 nan 8.290 nan 0.000 0.495 268 A N 1.428 124.297 122.820 0.081 0.000 2.547 268 A HA 0.582 4.903 4.320 0.001 0.000 0.279 268 A C -1.529 176.086 177.584 0.052 0.000 1.088 268 A CA -0.455 51.618 52.037 0.060 0.000 0.796 268 A CB 1.312 20.335 19.000 0.039 0.000 1.308 268 A HN 1.098 nan 8.150 nan 0.000 0.415 269 L N 5.058 126.311 121.223 0.050 0.000 2.262 269 L HA 0.547 4.887 4.340 0.001 0.000 0.288 269 L C -2.168 174.721 176.870 0.032 0.000 1.035 269 L CA -1.939 52.925 54.840 0.040 0.000 0.820 269 L CB 1.059 43.142 42.059 0.040 0.000 1.204 269 L HN 0.451 nan 8.230 nan 0.000 0.424 270 P HA 0.020 nan 4.420 nan 0.000 0.257 270 P C 0.840 178.156 177.300 0.026 0.000 1.162 270 P CA 1.180 64.296 63.100 0.027 0.000 0.762 270 P CB 0.418 32.134 31.700 0.027 0.000 0.753 271 G N 3.792 112.606 108.800 0.024 0.000 2.189 271 G HA2 -0.340 3.621 3.960 0.001 0.000 0.267 271 G HA3 -0.340 3.621 3.960 0.001 0.000 0.267 271 G C 0.991 175.902 174.900 0.018 0.000 0.975 271 G CA 0.751 45.864 45.100 0.021 0.000 0.644 271 G HN 0.563 nan 8.290 nan 0.000 0.537 272 R N -1.841 118.671 120.500 0.019 0.000 2.493 272 R HA 0.661 5.001 4.340 0.001 0.000 0.177 272 R C 0.331 176.639 176.300 0.014 0.000 0.861 272 R CA 0.779 56.887 56.100 0.014 0.000 1.083 272 R CB 0.975 31.285 30.300 0.016 0.000 1.328 272 R HN 0.710 nan 8.270 nan 0.000 0.615 273 V N -0.427 119.503 119.914 0.026 0.000 3.225 273 V HA 0.705 4.825 4.120 0.001 0.000 0.293 273 V C -1.706 174.417 176.094 0.047 0.000 1.405 273 V CA -0.768 61.553 62.300 0.034 0.000 1.038 273 V CB 2.105 33.952 31.823 0.040 0.000 1.123 273 V HN 0.305 nan 8.190 nan 0.000 0.447 274 G N 3.958 112.787 108.800 0.049 0.000 2.415 274 G HA2 0.747 4.708 3.960 0.001 0.000 0.327 274 G HA3 0.747 4.708 3.960 0.001 0.000 0.327 274 G C -1.250 173.702 174.900 0.086 0.000 1.182 274 G CA -0.546 44.591 45.100 0.062 0.000 0.924 274 G HN 0.742 nan 8.290 nan 0.000 0.470 275 I N 0.987 121.624 120.570 0.112 0.000 2.608 275 I HA 0.646 4.816 4.170 0.001 0.000 0.295 275 I C 0.294 176.504 176.117 0.154 0.000 1.049 275 I CA -0.950 60.432 61.300 0.136 0.000 1.063 275 I CB 2.804 40.896 38.000 0.153 0.000 1.248 275 I HN 0.599 nan 8.210 nan 0.000 0.424 276 G N 4.652 113.551 108.800 0.165 0.000 2.707 276 G HA2 0.674 4.634 3.960 0.001 0.000 0.299 276 G HA3 0.674 4.634 3.960 0.001 0.000 0.299 276 G C -1.435 173.596 174.900 0.219 0.000 1.442 276 G CA -0.367 44.850 45.100 0.195 0.000 1.009 276 G HN 0.329 nan 8.290 nan 0.000 0.515 277 V N 2.199 122.257 119.914 0.239 0.000 2.789 277 V HA 0.703 4.823 4.120 0.001 0.000 0.311 277 V C -1.336 174.924 176.094 0.277 0.000 1.073 277 V CA -0.888 61.571 62.300 0.265 0.000 0.921 277 V CB 1.992 33.965 31.823 0.251 0.000 1.009 277 V HN 0.718 nan 8.190 nan 0.000 0.426 278 F N 2.785 122.798 119.950 0.106 0.000 2.547 278 F HA 0.826 5.353 4.527 0.001 0.000 0.316 278 F C -0.231 175.591 175.800 0.036 0.000 1.121 278 F CA -0.605 57.346 58.000 -0.081 0.000 0.911 278 F CB 2.070 41.026 39.000 -0.074 0.000 1.179 278 F HN 0.469 nan 8.300 nan 0.000 0.443 279 S N 7.328 122.629 115.700 -0.666 0.000 2.388 279 S HA 0.294 4.764 4.470 0.001 0.000 0.279 279 S C -2.469 171.783 174.600 -0.581 0.000 0.987 279 S CA -0.711 57.058 58.200 -0.719 0.000 0.993 279 S CB 1.080 63.914 63.200 -0.610 0.000 1.207 279 S HN 0.388 nan 8.310 nan 0.000 0.425 280 P HA -0.129 nan 4.420 nan 0.000 0.217 280 P C -0.042 177.145 177.300 -0.188 0.000 1.162 280 P CA 1.309 64.227 63.100 -0.304 0.000 0.901 280 P CB 0.071 31.625 31.700 -0.243 0.000 0.793 281 R N -0.037 120.346 120.500 -0.195 0.000 2.537 281 R HA 0.234 4.574 4.340 0.001 0.000 0.280 281 R C 0.094 176.323 176.300 -0.118 0.000 1.058 281 R CA -0.024 55.996 56.100 -0.134 0.000 1.057 281 R CB -0.124 30.098 30.300 -0.131 0.000 0.973 281 R HN 0.153 nan 8.270 nan 0.000 0.438 282 L N 1.890 123.070 121.223 -0.071 0.000 2.334 282 L HA 0.324 4.665 4.340 0.001 0.000 0.272 282 L C 0.286 177.131 176.870 -0.042 0.000 1.020 282 L CA -1.075 53.735 54.840 -0.050 0.000 0.812 282 L CB 1.456 43.504 42.059 -0.019 0.000 1.264 282 L HN 0.665 nan 8.230 nan 0.000 0.439 283 D N -0.012 120.368 120.400 -0.033 0.000 2.348 283 D HA -0.016 4.624 4.640 0.001 0.000 0.272 283 D C 0.824 177.111 176.300 -0.022 0.000 1.237 283 D CA -0.368 53.617 54.000 -0.025 0.000 1.042 283 D CB 0.242 41.035 40.800 -0.011 0.000 1.117 283 D HN 0.606 nan 8.370 nan 0.000 0.548 284 E N -0.217 119.972 120.200 -0.019 0.000 2.482 284 E HA -0.086 4.264 4.350 0.001 0.000 0.196 284 E C 1.362 177.940 176.600 -0.036 0.000 1.047 284 E CA 0.656 57.042 56.400 -0.024 0.000 0.869 284 E CB -0.524 29.164 29.700 -0.020 0.000 0.836 284 E HN 0.415 nan 8.360 nan 0.000 0.520 285 V N -3.656 116.236 119.914 -0.036 0.000 3.319 285 V HA 0.603 4.724 4.120 0.001 0.000 0.317 285 V C 1.210 177.258 176.094 -0.076 0.000 1.411 285 V CA 0.035 62.296 62.300 -0.064 0.000 1.112 285 V CB -0.014 31.776 31.823 -0.055 0.000 1.031 285 V HN 0.243 nan 8.190 nan 0.000 0.448 286 G N 0.739 109.513 108.800 -0.043 0.000 2.176 286 G HA2 -0.243 3.717 3.960 0.001 0.000 0.253 286 G HA3 -0.243 3.717 3.960 0.001 0.000 0.253 286 G C 0.045 174.943 174.900 -0.002 0.000 0.979 286 G CA 0.258 45.346 45.100 -0.021 0.000 0.641 286 G HN 0.588 nan 8.290 nan 0.000 0.530 287 N N 0.240 118.934 118.700 -0.010 0.000 2.458 287 N HA 0.477 5.217 4.740 0.001 0.000 0.271 287 N C 0.238 175.735 175.510 -0.023 0.000 1.210 287 N CA 0.213 53.258 53.050 -0.009 0.000 0.978 287 N CB 1.244 39.718 38.487 -0.022 0.000 1.206 287 N HN 0.170 nan 8.380 nan 0.000 0.536 288 S N 0.294 115.976 115.700 -0.030 0.000 2.466 288 S HA 0.218 4.688 4.470 0.001 0.000 0.286 288 S C 1.302 175.863 174.600 -0.064 0.000 1.221 288 S CA -0.400 57.760 58.200 -0.066 0.000 1.091 288 S CB -0.070 63.088 63.200 -0.071 0.000 0.956 288 S HN 0.547 nan 8.310 nan 0.000 0.501 289 A N 6.521 129.287 122.820 -0.090 0.000 1.869 289 A HA -0.174 4.146 4.320 0.001 0.000 0.218 289 A C 2.190 179.716 177.584 -0.097 0.000 1.203 289 A CA 1.830 53.819 52.037 -0.080 0.000 0.638 289 A CB -0.541 18.399 19.000 -0.101 0.000 0.831 289 A HN 0.900 nan 8.150 nan 0.000 0.450 290 R N -0.869 119.501 120.500 -0.217 0.000 2.193 290 R HA 0.048 4.389 4.340 0.001 0.000 0.213 290 R C 2.314 178.546 176.300 -0.113 0.000 1.055 290 R CA 0.761 56.690 56.100 -0.285 0.000 0.995 290 R CB -0.509 29.299 30.300 -0.820 0.000 0.893 290 R HN 0.546 nan 8.270 nan 0.000 0.459 291 G N 0.827 109.578 108.800 -0.081 0.000 2.453 291 G HA2 -0.255 3.706 3.960 0.001 0.000 0.215 291 G HA3 -0.255 3.706 3.960 0.001 0.000 0.215 291 G C 1.502 176.493 174.900 0.152 0.000 1.201 291 G CA 1.264 46.402 45.100 0.064 0.000 0.784 291 G HN 0.282 nan 8.290 nan 0.000 0.545 292 V N -0.827 119.178 119.914 0.152 0.000 2.515 292 V HA -0.011 4.110 4.120 0.001 0.000 0.250 292 V C 2.590 178.857 176.094 0.287 0.000 1.058 292 V CA 1.631 64.123 62.300 0.320 0.000 1.064 292 V CB -0.623 31.387 31.823 0.311 0.000 0.675 292 V HN 0.198 nan 8.190 nan 0.000 0.461 293 L N 1.800 123.119 121.223 0.159 0.000 2.046 293 L HA 0.101 4.441 4.340 0.001 0.000 0.208 293 L C 2.662 179.603 176.870 0.118 0.000 1.077 293 L CA 2.285 57.190 54.840 0.108 0.000 0.747 293 L CB -1.235 40.858 42.059 0.057 0.000 0.896 293 L HN 0.327 nan 8.230 nan 0.000 0.432 294 A N -1.551 121.369 122.820 0.167 0.000 1.972 294 A HA -0.233 4.087 4.320 0.001 0.000 0.219 294 A C 2.384 180.069 177.584 0.169 0.000 1.169 294 A CA 1.812 53.967 52.037 0.197 0.000 0.635 294 A CB -1.411 17.767 19.000 0.297 0.000 0.810 294 A HN 0.628 nan 8.150 nan 0.000 0.446 295 C N -1.439 117.972 119.300 0.186 0.000 2.466 295 C HA -0.003 4.457 4.460 0.001 0.000 0.278 295 C C 2.757 177.761 174.990 0.023 0.000 1.288 295 C CA 1.059 60.174 59.018 0.161 0.000 1.722 295 C CB -1.184 26.740 27.740 0.306 0.000 2.017 295 C HN 0.741 nan 8.230 nan 0.000 0.488 296 R N 0.623 121.100 120.500 -0.037 0.000 2.127 296 R HA -0.111 4.230 4.340 0.001 0.000 0.238 296 R C 2.343 178.615 176.300 -0.048 0.000 1.134 296 R CA 1.315 57.339 56.100 -0.127 0.000 0.975 296 R CB -0.145 30.090 30.300 -0.108 0.000 0.865 296 R HN 0.386 nan 8.270 nan 0.000 0.447 297 R N 0.478 120.984 120.500 0.009 0.000 2.073 297 R HA -0.048 4.292 4.340 0.001 0.000 0.229 297 R C 2.310 178.618 176.300 0.014 0.000 1.120 297 R CA 1.049 57.160 56.100 0.018 0.000 0.967 297 R CB -0.694 29.633 30.300 0.045 0.000 0.862 297 R HN 0.325 nan 8.270 nan 0.000 0.436 298 L N 0.276 121.535 121.223 0.060 0.000 2.083 298 L HA -0.152 4.188 4.340 0.001 0.000 0.209 298 L C 2.616 179.513 176.870 0.045 0.000 1.083 298 L CA 1.375 56.254 54.840 0.064 0.000 0.752 298 L CB -0.489 41.675 42.059 0.174 0.000 0.899 298 L HN 0.189 nan 8.230 nan 0.000 0.433 299 S N -0.168 115.546 115.700 0.023 0.000 2.355 299 S HA -0.182 4.289 4.470 0.001 0.000 0.222 299 S C 1.827 176.443 174.600 0.026 0.000 1.031 299 S CA 1.443 59.657 58.200 0.022 0.000 0.993 299 S CB -0.046 63.122 63.200 -0.053 0.000 0.859 299 S HN 0.469 nan 8.310 nan 0.000 0.453 300 E N 0.282 120.474 120.200 -0.013 0.000 2.107 300 E HA -0.081 4.269 4.350 0.001 0.000 0.191 300 E C 1.601 178.178 176.600 -0.038 0.000 0.982 300 E CA 1.193 57.582 56.400 -0.018 0.000 0.809 300 E CB -0.121 29.562 29.700 -0.029 0.000 0.756 300 E HN 0.512 nan 8.360 nan 0.000 0.459 301 D N -0.146 120.190 120.400 -0.107 0.000 2.194 301 D HA -0.052 4.588 4.640 0.001 0.000 0.204 301 D C 1.294 177.469 176.300 -0.208 0.000 0.964 301 D CA 0.952 54.822 54.000 -0.216 0.000 0.846 301 D CB 0.003 40.583 40.800 -0.366 0.000 0.962 301 D HN 0.200 nan 8.370 nan 0.000 0.490 302 F N -0.276 119.637 119.950 -0.061 0.000 2.720 302 F HA 0.226 4.753 4.527 0.001 0.000 0.301 302 F C 0.502 176.279 175.800 -0.039 0.000 1.103 302 F CA -0.581 57.367 58.000 -0.087 0.000 1.291 302 F CB 0.715 39.630 39.000 -0.141 0.000 1.086 302 F HN -0.382 nan 8.300 nan 0.000 0.592 303 R N 0.569 121.160 120.500 0.151 0.000 3.774 303 R HA -0.155 4.186 4.340 0.001 0.000 0.320 303 R C -0.480 175.895 176.300 0.126 0.000 1.175 303 R CA 0.249 56.414 56.100 0.108 0.000 0.849 303 R CB -2.708 27.638 30.300 0.076 0.000 1.365 303 R HN 0.328 nan 8.270 nan 0.000 0.502 304 L N 2.050 123.357 121.223 0.140 0.000 2.382 304 L HA 0.143 4.484 4.340 0.001 0.000 0.259 304 L C 0.721 177.646 176.870 0.091 0.000 1.291 304 L CA 0.252 55.157 54.840 0.108 0.000 1.176 304 L CB -0.159 41.971 42.059 0.118 0.000 1.373 304 L HN 0.082 nan 8.230 nan 0.000 0.426 305 H N 1.674 120.750 119.070 0.011 0.000 2.689 305 H HA 0.101 4.658 4.556 0.001 0.000 0.346 305 H C 0.425 175.755 175.328 0.004 0.000 1.037 305 H CA -0.735 55.308 56.048 -0.008 0.000 1.234 305 H CB 2.144 31.891 29.762 -0.025 0.000 1.572 305 H HN 0.283 nan 8.280 nan 0.000 0.524 306 L N 4.110 125.327 121.223 -0.009 0.000 2.103 306 L HA -0.200 4.140 4.340 0.001 0.000 0.215 306 L C 1.650 178.633 176.870 0.189 0.000 1.080 306 L CA 1.783 56.666 54.840 0.073 0.000 0.764 306 L CB -0.227 41.826 42.059 -0.010 0.000 0.890 306 L HN 0.639 nan 8.230 nan 0.000 0.435 307 M N -1.297 118.550 119.600 0.412 0.000 2.561 307 M HA 0.107 4.587 4.480 0.001 0.000 0.238 307 M C -0.044 176.302 176.300 0.075 0.000 1.131 307 M CA 0.183 55.593 55.300 0.183 0.000 1.046 307 M CB -0.844 31.821 32.600 0.109 0.000 1.532 307 M HN 0.075 nan 8.290 nan 0.000 0.497 308 D N 1.926 122.389 120.400 0.104 0.000 2.479 308 D HA 0.322 4.962 4.640 0.001 0.000 0.218 308 D C 0.614 176.941 176.300 0.045 0.000 1.131 308 D CA 0.149 54.173 54.000 0.040 0.000 0.916 308 D CB 0.636 41.465 40.800 0.048 0.000 1.022 308 D HN 0.192 nan 8.370 nan 0.000 0.515 309 G N 1.598 110.416 108.800 0.030 0.000 2.464 309 G HA2 0.086 4.046 3.960 0.001 0.000 0.231 309 G HA3 0.086 4.046 3.960 0.001 0.000 0.231 309 G C -0.074 174.841 174.900 0.024 0.000 1.267 309 G CA 0.060 45.176 45.100 0.028 0.000 0.863 309 G HN 0.408 nan 8.290 nan 0.000 0.559 310 D N -1.007 119.408 120.400 0.025 0.000 2.351 310 D HA 0.401 5.041 4.640 0.001 0.000 0.235 310 D C -0.319 175.995 176.300 0.022 0.000 1.331 310 D CA -0.298 53.714 54.000 0.020 0.000 0.959 310 D CB 0.579 41.391 40.800 0.020 0.000 1.432 310 D HN 0.569 nan 8.370 nan 0.000 0.544 311 S N 1.839 117.552 115.700 0.021 0.000 2.595 311 S HA 0.397 4.867 4.470 0.001 0.000 0.281 311 S C 0.640 175.251 174.600 0.018 0.000 1.117 311 S CA -0.896 57.319 58.200 0.025 0.000 0.873 311 S CB 1.627 64.848 63.200 0.035 0.000 1.108 311 S HN 0.207 nan 8.310 nan 0.000 0.477 312 L N 2.887 124.121 121.223 0.018 0.000 2.042 312 L HA 0.206 4.547 4.340 0.001 0.000 0.210 312 L C 1.686 178.560 176.870 0.007 0.000 1.076 312 L CA 2.872 57.719 54.840 0.012 0.000 0.749 312 L CB -1.799 40.266 42.059 0.010 0.000 0.893 312 L HN 1.399 nan 8.230 nan 0.000 0.432 313 G N -1.206 107.596 108.800 0.004 0.000 2.614 313 G HA2 -0.407 3.554 3.960 0.001 0.000 0.303 313 G HA3 -0.407 3.554 3.960 0.001 0.000 0.303 313 G C 1.040 175.933 174.900 -0.011 0.000 1.270 313 G CA 0.485 45.582 45.100 -0.005 0.000 0.988 313 G HN 0.868 nan 8.290 nan 0.000 0.551 314 G N -1.447 107.352 108.800 -0.003 0.000 2.501 314 G HA2 0.071 4.031 3.960 0.001 0.000 0.220 314 G HA3 0.071 4.031 3.960 0.001 0.000 0.220 314 G C 1.622 176.533 174.900 0.019 0.000 1.114 314 G CA 2.051 47.156 45.100 0.009 0.000 0.757 314 G HN 1.126 nan 8.290 nan 0.000 0.559 315 T N 1.203 115.768 114.554 0.018 0.000 3.155 315 T HA 0.183 4.534 4.350 0.001 0.000 0.264 315 T C 2.517 177.226 174.700 0.015 0.000 1.160 315 T CA 0.768 62.883 62.100 0.025 0.000 1.075 315 T CB -0.073 68.809 68.868 0.024 0.000 0.921 315 T HN 0.389 nan 8.240 nan 0.000 0.533 316 A N 0.855 123.675 122.820 -0.001 0.000 2.066 316 A HA 0.121 4.441 4.320 0.001 0.000 0.218 316 A C 1.199 178.771 177.584 -0.019 0.000 1.157 316 A CA 0.501 52.531 52.037 -0.013 0.000 0.670 316 A CB -0.099 18.884 19.000 -0.030 0.000 0.804 316 A HN 0.365 nan 8.150 nan 0.000 0.453 317 V N 1.009 120.914 119.914 -0.014 0.000 2.339 317 V HA 0.168 4.288 4.120 0.001 0.000 0.261 317 V C 1.415 177.507 176.094 -0.003 0.000 1.058 317 V CA -0.220 62.063 62.300 -0.028 0.000 0.897 317 V CB 0.510 32.320 31.823 -0.021 0.000 1.052 317 V HN 0.605 nan 8.190 nan 0.000 0.480 318 R N 4.104 124.589 120.500 -0.026 0.000 2.073 318 R HA 0.012 4.353 4.340 0.001 0.000 0.234 318 R C 0.286 176.692 176.300 0.177 0.000 1.134 318 R CA 1.655 57.791 56.100 0.061 0.000 0.952 318 R CB 0.254 30.590 30.300 0.060 0.000 0.850 318 R HN 0.718 nan 8.270 nan 0.000 0.433 319 F N -4.805 115.160 119.950 0.024 0.000 2.829 319 F HA 0.421 4.948 4.527 0.001 0.000 0.319 319 F C -1.889 173.927 175.800 0.027 0.000 1.153 319 F CA -1.496 56.497 58.000 -0.011 0.000 0.912 319 F CB 1.115 40.082 39.000 -0.056 0.000 1.292 319 F HN -0.368 nan 8.300 nan 0.000 0.447 320 V N 1.698 121.751 119.914 0.232 0.000 2.409 320 V HA 0.442 4.562 4.120 0.001 0.000 0.290 320 V C -0.923 175.324 176.094 0.254 0.000 1.017 320 V CA -0.538 61.861 62.300 0.166 0.000 0.841 320 V CB 1.395 33.241 31.823 0.038 0.000 1.003 320 V HN 0.773 nan 8.190 nan 0.000 0.426 321 E N 3.253 123.669 120.200 0.360 0.000 2.176 321 E HA 0.486 4.836 4.350 0.001 0.000 0.267 321 E C -0.553 176.223 176.600 0.294 0.000 0.893 321 E CA -1.072 55.497 56.400 0.283 0.000 0.761 321 E CB 2.372 32.221 29.700 0.249 0.000 1.133 321 E HN 0.402 nan 8.360 nan 0.000 0.409 322 R N 2.694 123.302 120.500 0.180 0.000 2.825 322 R HA 0.049 4.389 4.340 0.001 0.000 0.261 322 R C 0.731 177.124 176.300 0.156 0.000 1.341 322 R CA -0.020 56.173 56.100 0.155 0.000 1.353 322 R CB -0.299 30.052 30.300 0.086 0.000 1.191 322 R HN 0.472 nan 8.270 nan 0.000 0.590 323 E N 1.483 121.835 120.200 0.253 0.000 2.085 323 E HA -0.085 4.266 4.350 0.001 0.000 0.194 323 E C 0.825 177.501 176.600 0.128 0.000 0.994 323 E CA 2.195 58.715 56.400 0.199 0.000 0.801 323 E CB 0.212 30.125 29.700 0.355 0.000 0.743 323 E HN 0.718 nan 8.360 nan 0.000 0.453 324 G N -1.468 107.404 108.800 0.119 0.000 4.302 324 G HA2 -0.120 3.840 3.960 0.001 0.000 0.137 324 G HA3 -0.120 3.840 3.960 0.001 0.000 0.137 324 G C 0.817 175.747 174.900 0.050 0.000 1.147 324 G CA 0.390 45.533 45.100 0.071 0.000 1.041 324 G HN 0.223 nan 8.290 nan 0.000 0.344 325 D N 0.775 121.201 120.400 0.044 0.000 2.431 325 D HA 0.147 4.788 4.640 0.001 0.000 0.227 325 D C 1.271 177.567 176.300 -0.007 0.000 1.030 325 D CA 0.188 54.197 54.000 0.016 0.000 0.897 325 D CB 0.345 41.151 40.800 0.010 0.000 1.058 325 D HN 0.543 nan 8.370 nan 0.000 0.500 326 R N -0.280 120.213 120.500 -0.012 0.000 2.573 326 R HA 0.653 4.993 4.340 0.001 0.000 0.272 326 R C -0.872 175.371 176.300 -0.094 0.000 1.009 326 R CA -0.828 55.206 56.100 -0.110 0.000 1.059 326 R CB 1.640 31.805 30.300 -0.225 0.000 1.112 326 R HN -0.193 nan 8.270 nan 0.000 0.517 327 V N 2.068 121.868 119.914 -0.189 0.000 2.540 327 V HA 0.413 4.533 4.120 0.001 0.000 0.302 327 V C -1.042 174.936 176.094 -0.193 0.000 1.035 327 V CA -0.743 61.518 62.300 -0.064 0.000 0.873 327 V CB 1.332 33.141 31.823 -0.023 0.000 0.992 327 V HN 0.566 nan 8.190 nan 0.000 0.428 328 F N 4.940 124.939 119.950 0.082 0.000 2.404 328 F HA 0.641 5.169 4.527 0.001 0.000 0.354 328 F C -0.200 175.647 175.800 0.078 0.000 1.122 328 F CA -0.623 57.447 58.000 0.116 0.000 1.080 328 F CB 1.562 40.730 39.000 0.279 0.000 1.131 328 F HN 0.283 nan 8.300 nan 0.000 0.471 329 L N 5.133 126.404 121.223 0.080 0.000 2.316 329 L HA 0.496 4.837 4.340 0.001 0.000 0.280 329 L C -1.224 175.529 176.870 -0.195 0.000 1.006 329 L CA -0.474 54.333 54.840 -0.054 0.000 0.836 329 L CB 0.262 42.274 42.059 -0.080 0.000 1.221 329 L HN 0.472 nan 8.230 nan 0.000 0.418 330 H N 4.842 123.612 119.070 -0.500 0.000 2.459 330 H HA 0.648 5.205 4.556 0.001 0.000 0.332 330 H C -0.585 174.557 175.328 -0.309 0.000 1.094 330 H CA -0.337 55.434 56.048 -0.461 0.000 1.224 330 H CB 1.314 30.592 29.762 -0.807 0.000 1.449 330 H HN 0.525 nan 8.280 nan 0.000 0.484 331 L N 2.591 123.754 121.223 -0.100 0.000 2.332 331 L HA 0.581 4.921 4.340 0.001 0.000 0.269 331 L C -0.136 176.721 176.870 -0.021 0.000 1.016 331 L CA -0.900 53.901 54.840 -0.064 0.000 0.809 331 L CB 1.475 43.494 42.059 -0.067 0.000 1.280 331 L HN 0.689 nan 8.230 nan 0.000 0.447 332 Q N 0.158 119.952 119.800 -0.009 0.000 2.578 332 Q HA 0.646 4.986 4.340 0.001 0.000 0.284 332 Q C -0.407 175.598 176.000 0.008 0.000 0.960 332 Q CA -0.368 55.442 55.803 0.011 0.000 0.809 332 Q CB 2.234 30.990 28.738 0.031 0.000 1.462 332 Q HN 0.853 nan 8.270 nan 0.000 0.392 333 G N -0.239 108.570 108.800 0.014 0.000 2.615 333 G HA2 -0.159 3.801 3.960 0.001 0.000 0.218 333 G HA3 -0.159 3.801 3.960 0.001 0.000 0.218 333 G C -1.009 173.896 174.900 0.009 0.000 1.339 333 G CA -0.439 44.669 45.100 0.013 0.000 0.884 333 G HN 1.009 nan 8.290 nan 0.000 0.559 334 V N 1.814 121.734 119.914 0.011 0.000 2.320 334 V HA 0.369 4.490 4.120 0.001 0.000 0.265 334 V C 0.739 176.838 176.094 0.010 0.000 1.048 334 V CA -0.671 61.636 62.300 0.012 0.000 0.865 334 V CB 0.961 32.794 31.823 0.017 0.000 1.043 334 V HN 0.560 nan 8.190 nan 0.000 0.474 335 I N 6.411 126.983 120.570 0.003 0.000 2.379 335 I HA 0.431 4.601 4.170 0.001 0.000 0.290 335 I C 0.695 176.817 176.117 0.009 0.000 1.063 335 I CA 0.441 61.739 61.300 -0.003 0.000 1.351 335 I CB 0.245 38.235 38.000 -0.017 0.000 1.410 335 I HN 0.647 nan 8.210 nan 0.000 0.505 336 R N 3.471 123.982 120.500 0.019 0.000 3.212 336 R HA 0.326 4.666 4.340 0.001 0.000 0.240 336 R C 0.822 177.162 176.300 0.066 0.000 1.470 336 R CA -0.789 55.344 56.100 0.056 0.000 1.041 336 R CB 0.345 30.692 30.300 0.077 0.000 1.494 336 R HN 0.342 nan 8.270 nan 0.000 0.502 337 F N 1.608 121.556 119.950 -0.004 0.000 2.192 337 F HA -0.156 4.371 4.527 0.001 0.000 0.301 337 F C 1.728 177.525 175.800 -0.004 0.000 1.079 337 F CA 2.256 60.253 58.000 -0.005 0.000 1.303 337 F CB -0.492 38.505 39.000 -0.005 0.000 1.024 337 F HN 0.656 nan 8.300 nan 0.000 0.494 338 G N -0.386 108.444 108.800 0.050 0.000 2.453 338 G HA2 -0.198 3.762 3.960 0.001 0.000 0.215 338 G HA3 -0.198 3.762 3.960 0.001 0.000 0.215 338 G C 1.918 176.742 174.900 -0.127 0.000 1.201 338 G CA 0.704 45.788 45.100 -0.028 0.000 0.784 338 G HN 0.594 nan 8.290 nan 0.000 0.545 339 G N 1.026 109.778 108.800 -0.080 0.000 2.414 339 G HA2 0.074 4.035 3.960 0.001 0.000 0.215 339 G HA3 0.074 4.035 3.960 0.001 0.000 0.215 339 G C 2.113 176.935 174.900 -0.130 0.000 1.188 339 G CA 1.612 46.663 45.100 -0.082 0.000 0.783 339 G HN 0.671 nan 8.290 nan 0.000 0.537 340 A N 0.709 123.437 122.820 -0.152 0.000 1.917 340 A HA -0.127 4.193 4.320 0.001 0.000 0.219 340 A C 2.196 179.629 177.584 -0.251 0.000 1.182 340 A CA 2.187 54.122 52.037 -0.170 0.000 0.633 340 A CB -0.479 18.436 19.000 -0.141 0.000 0.819 340 A HN 0.421 nan 8.150 nan 0.000 0.448 341 E N 0.401 120.338 120.200 -0.438 0.000 2.058 341 E HA -0.183 4.167 4.350 0.001 0.000 0.194 341 E C 2.168 178.626 176.600 -0.238 0.000 0.997 341 E CA 1.451 57.567 56.400 -0.472 0.000 0.801 341 E CB -0.352 28.876 29.700 -0.787 0.000 0.746 341 E HN 0.484 nan 8.360 nan 0.000 0.450 342 A N 0.798 123.508 122.820 -0.183 0.000 1.930 342 A HA -0.104 4.216 4.320 0.001 0.000 0.217 342 A C 2.561 180.095 177.584 -0.083 0.000 1.175 342 A CA 1.474 53.449 52.037 -0.102 0.000 0.627 342 A CB -0.652 18.305 19.000 -0.071 0.000 0.815 342 A HN 0.200 nan 8.150 nan 0.000 0.443 343 V N 0.330 120.187 119.914 -0.095 0.000 2.287 343 V HA -0.282 3.838 4.120 0.001 0.000 0.248 343 V C 2.498 178.548 176.094 -0.072 0.000 1.053 343 V CA 2.016 64.269 62.300 -0.079 0.000 1.027 343 V CB -0.883 30.890 31.823 -0.083 0.000 0.646 343 V HN 0.588 nan 8.190 nan 0.000 0.447 344 L N -0.087 121.085 121.223 -0.086 0.000 2.261 344 L HA -0.203 4.138 4.340 0.001 0.000 0.216 344 L C 2.093 178.932 176.870 -0.052 0.000 1.114 344 L CA 1.333 56.132 54.840 -0.069 0.000 0.777 344 L CB -0.679 41.332 42.059 -0.079 0.000 0.910 344 L HN 0.383 nan 8.230 nan 0.000 0.440 345 D N -0.025 120.344 120.400 -0.053 0.000 2.137 345 D HA -0.061 4.580 4.640 0.001 0.000 0.202 345 D C 2.287 178.574 176.300 -0.022 0.000 0.970 345 D CA 1.202 55.183 54.000 -0.031 0.000 0.837 345 D CB -0.016 40.767 40.800 -0.028 0.000 0.981 345 D HN 0.231 nan 8.370 nan 0.000 0.475 346 A N 0.693 123.497 122.820 -0.028 0.000 1.865 346 A HA -0.154 4.166 4.320 0.001 0.000 0.217 346 A C 2.232 179.801 177.584 -0.026 0.000 1.191 346 A CA 1.122 53.145 52.037 -0.024 0.000 0.623 346 A CB -0.950 18.030 19.000 -0.034 0.000 0.826 346 A HN 0.195 nan 8.150 nan 0.000 0.444 347 L N -0.751 120.452 121.223 -0.034 0.000 1.971 347 L HA -0.213 4.127 4.340 0.001 0.000 0.215 347 L C 2.795 179.650 176.870 -0.025 0.000 1.072 347 L CA 2.015 56.835 54.840 -0.034 0.000 0.758 347 L CB -1.351 40.684 42.059 -0.040 0.000 0.889 347 L HN 0.356 nan 8.230 nan 0.000 0.433 348 T N -1.116 113.425 114.554 -0.023 0.000 2.803 348 T HA -0.174 4.176 4.350 0.001 0.000 0.269 348 T C 1.288 175.981 174.700 -0.012 0.000 1.052 348 T CA 1.473 63.563 62.100 -0.017 0.000 1.136 348 T CB -0.335 68.524 68.868 -0.015 0.000 0.864 348 T HN 0.290 nan 8.240 nan 0.000 0.467 349 D N 0.799 121.194 120.400 -0.009 0.000 2.371 349 D HA 0.054 4.694 4.640 0.001 0.000 0.221 349 D C 0.311 176.610 176.300 -0.003 0.000 0.986 349 D CA 0.414 54.414 54.000 -0.001 0.000 0.899 349 D CB -0.229 40.575 40.800 0.007 0.000 0.902 349 D HN 0.369 nan 8.370 nan 0.000 0.530 350 L N 1.358 122.576 121.223 -0.009 0.000 2.352 350 L HA 0.300 4.641 4.340 0.001 0.000 0.272 350 L C 0.322 177.185 176.870 -0.012 0.000 1.109 350 L CA -0.421 54.412 54.840 -0.010 0.000 0.952 350 L CB 0.469 42.518 42.059 -0.017 0.000 1.314 350 L HN -0.336 nan 8.230 nan 0.000 0.427 351 R N 0.880 121.376 120.500 -0.008 0.000 4.219 351 R HA -0.068 4.273 4.340 0.001 0.000 0.159 351 R C 1.483 177.776 176.300 -0.011 0.000 1.934 351 R CA 0.336 56.431 56.100 -0.010 0.000 1.395 351 R CB -0.698 29.597 30.300 -0.007 0.000 1.320 351 R HN 0.605 nan 8.270 nan 0.000 0.765 352 T N -3.231 111.314 114.554 -0.015 0.000 3.072 352 T HA -0.028 4.323 4.350 0.001 0.000 0.266 352 T C 1.479 176.170 174.700 -0.015 0.000 1.127 352 T CA 0.611 62.701 62.100 -0.017 0.000 1.107 352 T CB 0.275 69.130 68.868 -0.022 0.000 0.910 352 T HN 0.445 nan 8.240 nan 0.000 0.513 353 G N 1.042 109.834 108.800 -0.014 0.000 3.287 353 G HA2 0.538 4.499 3.960 0.001 0.000 0.172 353 G HA3 0.538 4.499 3.960 0.001 0.000 0.172 353 G C 0.829 175.723 174.900 -0.011 0.000 1.922 353 G CA 0.180 45.273 45.100 -0.013 0.000 0.952 353 G HN 0.954 nan 8.290 nan 0.000 0.520 354 A N -1.708 121.105 122.820 -0.011 0.000 2.408 354 A HA 0.371 4.691 4.320 0.001 0.000 0.195 354 A C 0.194 177.772 177.584 -0.011 0.000 2.215 354 A CA 0.141 52.172 52.037 -0.010 0.000 1.224 354 A CB -0.292 18.703 19.000 -0.009 0.000 0.924 354 A HN 0.369 nan 8.150 nan 0.000 0.450 355 E N 1.168 121.361 120.200 -0.011 0.000 2.461 355 E HA 0.241 4.592 4.350 0.001 0.000 0.263 355 E C 0.169 176.759 176.600 -0.016 0.000 1.143 355 E CA 0.740 57.133 56.400 -0.013 0.000 0.994 355 E CB 0.194 29.887 29.700 -0.013 0.000 0.973 355 E HN 0.449 nan 8.360 nan 0.000 0.457 356 K N 1.519 121.908 120.400 -0.018 0.000 2.291 356 K HA 0.234 4.555 4.320 0.001 0.000 0.242 356 K C -2.001 174.580 176.600 -0.031 0.000 1.098 356 K CA -1.169 55.103 56.287 -0.024 0.000 1.036 356 K CB 0.086 32.572 32.500 -0.024 0.000 1.655 356 K HN 0.197 nan 8.250 nan 0.000 0.432 357 P HA -0.215 nan 4.420 nan 0.000 0.212 357 P C 0.202 177.467 177.300 -0.059 0.000 0.886 357 P CA 1.271 64.349 63.100 -0.038 0.000 1.017 357 P CB -0.545 31.134 31.700 -0.035 0.000 0.686 358 G N -0.066 108.680 108.800 -0.090 0.000 3.391 358 G HA2 0.008 3.968 3.960 0.001 0.000 0.675 358 G HA3 0.008 3.968 3.960 0.001 0.000 0.675 358 G C 0.110 174.907 174.900 -0.171 0.000 0.899 358 G CA -0.088 44.926 45.100 -0.144 0.000 0.755 358 G HN 0.762 nan 8.290 nan 0.000 0.475 359 T N 0.389 114.751 114.554 -0.319 0.000 2.748 359 T HA 0.519 4.869 4.350 0.001 0.000 0.304 359 T C 1.933 176.503 174.700 -0.217 0.000 1.041 359 T CA 0.579 62.479 62.100 -0.333 0.000 1.033 359 T CB 1.572 69.949 68.868 -0.819 0.000 0.995 359 T HN 1.835 nan 8.240 nan 0.000 0.536 360 G N 0.086 108.894 108.800 0.014 0.000 2.708 360 G HA2 0.125 4.085 3.960 0.001 0.000 0.210 360 G HA3 0.125 4.085 3.960 0.001 0.000 0.210 360 G C 0.466 175.508 174.900 0.236 0.000 1.141 360 G CA -0.345 44.828 45.100 0.123 0.000 0.788 360 G HN 0.839 nan 8.290 nan 0.000 0.531 361 W N -0.137 121.251 121.300 0.146 0.000 2.719 361 W HA 0.606 5.266 4.660 0.001 0.000 0.352 361 W C -1.490 175.152 176.519 0.205 0.000 1.085 361 W CA -1.895 55.579 57.345 0.215 0.000 1.187 361 W CB 0.859 30.465 29.460 0.243 0.000 1.417 361 W HN -0.201 nan 8.180 nan 0.000 0.557 362 D N 1.329 122.019 120.400 0.483 0.000 2.295 362 D HA 0.331 4.972 4.640 0.001 0.000 0.248 362 D C 1.181 177.733 176.300 0.419 0.000 1.154 362 D CA 0.026 54.181 54.000 0.259 0.000 0.857 362 D CB 1.992 42.889 40.800 0.161 0.000 1.117 362 D HN 0.455 nan 8.370 nan 0.000 0.468 363 A N 4.022 126.972 122.820 0.215 0.000 1.978 363 A HA -0.113 4.207 4.320 0.001 0.000 0.220 363 A C 2.044 179.768 177.584 0.234 0.000 1.170 363 A CA 1.876 54.118 52.037 0.343 0.000 0.636 363 A CB -0.380 18.698 19.000 0.129 0.000 0.810 363 A HN 0.654 nan 8.150 nan 0.000 0.448 364 A N -0.767 122.123 122.820 0.116 0.000 1.969 364 A HA 0.076 4.396 4.320 0.001 0.000 0.218 364 A C 2.154 179.723 177.584 -0.026 0.000 1.169 364 A CA 1.708 53.769 52.037 0.039 0.000 0.635 364 A CB -0.564 18.443 19.000 0.011 0.000 0.810 364 A HN 0.375 nan 8.150 nan 0.000 0.445 365 V N -2.087 117.790 119.914 -0.062 0.000 2.446 365 V HA -0.091 4.030 4.120 0.001 0.000 0.244 365 V C 0.624 176.401 176.094 -0.529 0.000 1.039 365 V CA 0.901 63.003 62.300 -0.330 0.000 1.045 365 V CB -0.702 30.826 31.823 -0.492 0.000 0.681 365 V HN 0.610 nan 8.190 nan 0.000 0.459 366 Y N -0.109 120.086 120.300 -0.176 0.000 2.902 366 Y HA 0.364 4.914 4.550 0.001 0.000 0.353 366 Y C -1.760 174.029 175.900 -0.186 0.000 1.116 366 Y CA -2.466 55.355 58.100 -0.464 0.000 1.222 366 Y CB 0.150 37.882 38.460 -1.214 0.000 1.302 366 Y HN 0.218 nan 8.280 nan 0.000 0.590 367 P HA -0.210 nan 4.420 nan 0.000 0.216 367 P C 1.601 178.961 177.300 0.099 0.000 1.153 367 P CA 1.489 64.635 63.100 0.076 0.000 0.858 367 P CB 0.410 32.125 31.700 0.024 0.000 0.789 368 R N -1.161 119.366 120.500 0.045 0.000 2.096 368 R HA -0.155 4.185 4.340 0.001 0.000 0.240 368 R C 2.094 178.529 176.300 0.226 0.000 1.139 368 R CA 1.444 57.613 56.100 0.115 0.000 0.952 368 R CB -1.612 28.760 30.300 0.121 0.000 0.854 368 R HN 0.359 nan 8.270 nan 0.000 0.436 369 W N 1.649 122.856 121.300 -0.156 0.000 2.363 369 W HA -0.056 4.605 4.660 0.001 0.000 0.296 369 W C 2.299 178.781 176.519 -0.060 0.000 1.212 369 W CA 0.283 57.398 57.345 -0.384 0.000 1.260 369 W CB -1.203 27.534 29.460 -1.204 0.000 1.131 369 W HN 0.333 nan 8.180 nan 0.000 0.530 370 Q N 0.776 120.846 119.800 0.451 0.000 2.030 370 Q HA -0.234 4.106 4.340 0.001 0.000 0.204 370 Q C 1.884 178.068 176.000 0.306 0.000 0.986 370 Q CA 2.404 58.549 55.803 0.569 0.000 0.843 370 Q CB -0.179 28.825 28.738 0.444 0.000 0.904 370 Q HN 0.355 nan 8.270 nan 0.000 0.420 371 E N 0.438 120.765 120.200 0.212 0.000 2.023 371 E HA -0.225 4.125 4.350 0.001 0.000 0.196 371 E C 2.043 178.717 176.600 0.122 0.000 1.003 371 E CA 1.101 57.585 56.400 0.139 0.000 0.809 371 E CB -0.334 29.430 29.700 0.106 0.000 0.755 371 E HN 0.491 nan 8.360 nan 0.000 0.449 372 A N 1.672 124.561 122.820 0.116 0.000 1.927 372 A HA -0.232 4.088 4.320 0.001 0.000 0.220 372 A C 2.417 180.046 177.584 0.074 0.000 1.185 372 A CA 2.107 54.186 52.037 0.070 0.000 0.639 372 A CB -0.878 18.141 19.000 0.033 0.000 0.820 372 A HN 0.321 nan 8.150 nan 0.000 0.451 373 A N -0.749 122.151 122.820 0.134 0.000 2.172 373 A HA 0.289 4.610 4.320 0.001 0.000 0.216 373 A C 2.288 179.946 177.584 0.122 0.000 1.154 373 A CA 1.602 53.730 52.037 0.150 0.000 0.701 373 A CB -0.724 18.447 19.000 0.285 0.000 0.789 373 A HN 1.040 nan 8.150 nan 0.000 0.465 374 A N -0.530 122.358 122.820 0.114 0.000 1.930 374 A HA -0.084 4.236 4.320 0.001 0.000 0.217 374 A C 1.324 178.946 177.584 0.064 0.000 1.175 374 A CA 1.357 53.447 52.037 0.088 0.000 0.627 374 A CB -0.151 18.900 19.000 0.084 0.000 0.815 374 A HN 0.372 nan 8.150 nan 0.000 0.443 375 D N -0.463 119.968 120.400 0.051 0.000 2.639 375 D HA 0.161 4.802 4.640 0.001 0.000 0.233 375 D C 1.270 177.581 176.300 0.018 0.000 1.161 375 D CA -0.288 53.731 54.000 0.032 0.000 1.003 375 D CB -0.012 40.799 40.800 0.019 0.000 1.034 375 D HN 0.359 nan 8.370 nan 0.000 0.514 376 R N 1.966 122.488 120.500 0.037 0.000 2.191 376 R HA -0.315 4.026 4.340 0.001 0.000 0.248 376 R C 1.718 177.987 176.300 -0.053 0.000 1.127 376 R CA 2.439 58.563 56.100 0.040 0.000 0.943 376 R CB -0.098 30.264 30.300 0.103 0.000 0.891 376 R HN 0.369 nan 8.270 nan 0.000 0.439 377 A N -0.080 122.693 122.820 -0.079 0.000 1.930 377 A HA -0.013 4.308 4.320 0.001 0.000 0.217 377 A C 2.322 179.782 177.584 -0.205 0.000 1.175 377 A CA 1.532 53.405 52.037 -0.274 0.000 0.627 377 A CB -0.665 18.267 19.000 -0.114 0.000 0.815 377 A HN 0.613 nan 8.150 nan 0.000 0.443 378 A N -0.190 122.571 122.820 -0.098 0.000 1.845 378 A HA -0.082 4.238 4.320 0.001 0.000 0.215 378 A C 2.124 179.660 177.584 -0.080 0.000 1.195 378 A CA 1.768 53.762 52.037 -0.071 0.000 0.616 378 A CB -0.784 18.195 19.000 -0.034 0.000 0.832 378 A HN 0.719 nan 8.150 nan 0.000 0.443 379 L N -0.065 121.115 121.223 -0.072 0.000 2.127 379 L HA -0.119 4.221 4.340 0.001 0.000 0.211 379 L C 2.608 179.424 176.870 -0.091 0.000 1.089 379 L CA 2.485 57.282 54.840 -0.072 0.000 0.757 379 L CB -0.581 41.444 42.059 -0.056 0.000 0.899 379 L HN 0.388 nan 8.230 nan 0.000 0.434 380 S N -1.036 114.585 115.700 -0.132 0.000 2.368 380 S HA -0.127 4.343 4.470 0.001 0.000 0.224 380 S C 2.143 176.671 174.600 -0.121 0.000 1.029 380 S CA 1.086 59.198 58.200 -0.147 0.000 0.988 380 S CB -0.362 62.658 63.200 -0.300 0.000 0.838 380 S HN 0.629 nan 8.310 nan 0.000 0.462 381 A N 1.145 123.887 122.820 -0.131 0.000 1.898 381 A HA 0.295 4.616 4.320 0.001 0.000 0.216 381 A C 2.308 179.857 177.584 -0.058 0.000 1.181 381 A CA 1.606 53.593 52.037 -0.084 0.000 0.620 381 A CB -1.169 17.785 19.000 -0.077 0.000 0.819 381 A HN 0.776 nan 8.150 nan 0.000 0.442 382 A N -0.713 122.071 122.820 -0.060 0.000 2.235 382 A HA 0.186 4.506 4.320 0.001 0.000 0.208 382 A C 1.659 179.212 177.584 -0.051 0.000 1.172 382 A CA 1.805 53.812 52.037 -0.050 0.000 0.786 382 A CB -0.648 18.323 19.000 -0.049 0.000 0.804 382 A HN 0.845 nan 8.150 nan 0.000 0.479 383 T N -6.047 108.474 114.554 -0.054 0.000 3.262 383 T HA 0.429 4.779 4.350 0.001 0.000 0.300 383 T C 0.937 175.615 174.700 -0.037 0.000 0.959 383 T CA 0.843 62.912 62.100 -0.051 0.000 0.936 383 T CB -0.167 68.661 68.868 -0.066 0.000 1.169 383 T HN 1.651 nan 8.240 nan 0.000 0.532 384 G N 0.749 109.530 108.800 -0.032 0.000 2.272 384 G HA2 -0.095 3.865 3.960 0.001 0.000 0.280 384 G HA3 -0.095 3.865 3.960 0.001 0.000 0.280 384 G C 0.802 175.697 174.900 -0.008 0.000 1.067 384 G CA -0.093 44.997 45.100 -0.017 0.000 0.902 384 G HN 1.085 nan 8.290 nan 0.000 0.500 385 G N -0.562 108.232 108.800 -0.010 0.000 3.233 385 G HA2 0.544 4.505 3.960 0.001 0.000 0.227 385 G HA3 0.544 4.505 3.960 0.001 0.000 0.227 385 G C 1.642 176.581 174.900 0.065 0.000 1.175 385 G CA 1.352 46.462 45.100 0.016 0.000 0.781 385 G HN 1.934 nan 8.290 nan 0.000 0.542 386 G N 0.508 109.344 108.800 0.061 0.000 2.652 386 G HA2 -0.056 3.904 3.960 0.001 0.000 0.318 386 G HA3 -0.056 3.904 3.960 0.001 0.000 0.318 386 G C 1.260 176.285 174.900 0.209 0.000 1.295 386 G CA 0.883 46.042 45.100 0.099 0.000 0.999 386 G HN 1.300 nan 8.290 nan 0.000 0.548 387 A N -1.016 121.897 122.820 0.155 0.000 2.423 387 A HA 0.618 4.938 4.320 0.001 0.000 0.246 387 A C 2.136 179.716 177.584 -0.007 0.000 1.278 387 A CA 1.304 53.399 52.037 0.097 0.000 0.903 387 A CB 0.161 19.203 19.000 0.069 0.000 0.997 387 A HN 1.233 nan 8.150 nan 0.000 0.510 388 V N 1.144 121.115 119.914 0.095 0.000 2.392 388 V HA -0.283 3.838 4.120 0.001 0.000 0.249 388 V C 2.599 178.712 176.094 0.031 0.000 1.059 388 V CA 2.161 64.489 62.300 0.045 0.000 1.051 388 V CB -1.081 30.776 31.823 0.056 0.000 0.658 388 V HN 0.934 nan 8.190 nan 0.000 0.455 389 H N 0.277 119.357 119.070 0.017 0.000 2.518 389 H HA -0.104 4.452 4.556 0.001 0.000 0.289 389 H C 1.824 177.170 175.328 0.031 0.000 1.051 389 H CA 1.471 57.532 56.048 0.021 0.000 1.280 389 H CB -0.382 29.393 29.762 0.020 0.000 1.380 389 H HN 0.519 nan 8.280 nan 0.000 0.566 390 E N 0.769 120.630 120.200 -0.565 0.000 2.268 390 E HA -0.025 4.326 4.350 0.001 0.000 0.195 390 E C 2.345 178.879 176.600 -0.110 0.000 0.995 390 E CA 0.776 56.970 56.400 -0.343 0.000 0.836 390 E CB 0.088 29.624 29.700 -0.273 0.000 0.763 390 E HN 0.627 nan 8.360 nan 0.000 0.491 391 A N 1.331 124.108 122.820 -0.072 0.000 1.855 391 A HA -0.063 4.257 4.320 0.001 0.000 0.215 391 A C 2.398 179.979 177.584 -0.006 0.000 1.191 391 A CA 1.443 53.466 52.037 -0.023 0.000 0.613 391 A CB -0.654 18.334 19.000 -0.019 0.000 0.829 391 A HN 0.298 nan 8.150 nan 0.000 0.442 392 A N -0.046 122.777 122.820 0.006 0.000 1.940 392 A HA 0.092 4.413 4.320 0.001 0.000 0.219 392 A C 2.465 180.062 177.584 0.022 0.000 1.176 392 A CA 2.230 54.280 52.037 0.021 0.000 0.631 392 A CB -0.984 18.042 19.000 0.043 0.000 0.814 392 A HN 1.093 nan 8.150 nan 0.000 0.446 393 A N -0.237 122.593 122.820 0.017 0.000 1.933 393 A HA 0.165 4.485 4.320 0.001 0.000 0.218 393 A C 2.481 180.075 177.584 0.018 0.000 1.175 393 A CA 1.991 54.041 52.037 0.021 0.000 0.628 393 A CB -0.935 18.073 19.000 0.012 0.000 0.814 393 A HN 1.079 nan 8.150 nan 0.000 0.444 394 A N -0.242 122.587 122.820 0.014 0.000 1.933 394 A HA 0.204 4.524 4.320 0.001 0.000 0.218 394 A C 2.259 179.854 177.584 0.018 0.000 1.175 394 A CA 1.789 53.840 52.037 0.022 0.000 0.628 394 A CB -0.764 18.253 19.000 0.027 0.000 0.814 394 A HN 1.113 nan 8.150 nan 0.000 0.444 395 A N -0.992 121.836 122.820 0.013 0.000 2.259 395 A HA 0.517 4.838 4.320 0.001 0.000 0.208 395 A C 1.940 179.532 177.584 0.013 0.000 1.201 395 A CA 1.082 53.125 52.037 0.010 0.000 0.824 395 A CB -0.537 18.467 19.000 0.006 0.000 0.838 395 A HN 0.828 nan 8.150 nan 0.000 0.485 396 A N 0.088 122.918 122.820 0.017 0.000 2.044 396 A HA 0.091 4.411 4.320 0.001 0.000 0.213 396 A C 1.712 179.306 177.584 0.018 0.000 1.169 396 A CA 0.179 52.228 52.037 0.019 0.000 0.724 396 A CB -0.144 18.871 19.000 0.025 0.000 0.840 396 A HN 0.435 nan 8.150 nan 0.000 0.463 397 R N 0.790 121.301 120.500 0.018 0.000 2.849 397 R HA 0.024 4.364 4.340 0.001 0.000 0.238 397 R C 0.817 177.126 176.300 0.014 0.000 1.403 397 R CA 0.240 56.351 56.100 0.017 0.000 1.303 397 R CB -0.197 30.115 30.300 0.021 0.000 1.191 397 R HN 0.571 nan 8.270 nan 0.000 0.533 398 D N 1.879 122.287 120.400 0.012 0.000 2.088 398 D HA -0.209 4.432 4.640 0.001 0.000 0.191 398 D C 1.215 177.520 176.300 0.009 0.000 0.992 398 D CA 1.478 55.484 54.000 0.009 0.000 0.831 398 D CB 0.491 41.295 40.800 0.007 0.000 0.973 398 D HN 0.145 nan 8.370 nan 0.000 0.447 399 E N 0.901 121.106 120.200 0.009 0.000 2.023 399 E HA -0.160 4.190 4.350 0.001 0.000 0.196 399 E C 2.003 178.609 176.600 0.009 0.000 1.003 399 E CA 0.685 57.090 56.400 0.008 0.000 0.809 399 E CB -0.853 28.852 29.700 0.008 0.000 0.755 399 E HN 0.436 nan 8.360 nan 0.000 0.449 400 N N 1.393 120.099 118.700 0.010 0.000 2.049 400 N HA -0.135 4.605 4.740 0.001 0.000 0.198 400 N C 0.844 176.361 175.510 0.012 0.000 1.030 400 N CA 1.269 54.326 53.050 0.011 0.000 0.870 400 N CB -0.269 38.226 38.487 0.013 0.000 1.045 400 N HN 0.288 nan 8.380 nan 0.000 0.434 401 D N -1.023 119.384 120.400 0.013 0.000 2.541 401 D HA 0.443 5.083 4.640 0.001 0.000 0.276 401 D C 0.948 177.254 176.300 0.010 0.000 1.190 401 D CA -0.358 53.651 54.000 0.013 0.000 1.095 401 D CB 0.394 41.205 40.800 0.017 0.000 1.173 401 D HN 0.123 nan 8.370 nan 0.000 0.604 402 G N -0.468 108.338 108.800 0.009 0.000 3.135 402 G HA2 0.504 4.464 3.960 0.001 0.000 0.159 402 G HA3 0.504 4.464 3.960 0.001 0.000 0.159 402 G C -2.513 172.389 174.900 0.004 0.000 1.244 402 G CA -0.590 44.514 45.100 0.006 0.000 0.965 402 G HN 0.295 nan 8.290 nan 0.000 0.599 403 P HA 0.416 nan 4.420 nan 0.000 0.294 403 P C -0.220 177.076 177.300 -0.007 0.000 1.294 403 P CA -0.357 62.740 63.100 -0.003 0.000 0.827 403 P CB 1.742 33.439 31.700 -0.005 0.000 0.992 404 I N 3.485 124.049 120.570 -0.009 0.000 2.775 404 I HA -0.048 4.122 4.170 0.001 0.000 0.290 404 I C 1.686 177.788 176.117 -0.024 0.000 1.203 404 I CA 0.608 61.898 61.300 -0.016 0.000 1.433 404 I CB 0.288 38.276 38.000 -0.020 0.000 1.354 404 I HN 0.422 nan 8.210 nan 0.000 0.579 405 R N 2.292 122.772 120.500 -0.033 0.000 2.513 405 R HA 0.211 4.551 4.340 0.001 0.000 0.245 405 R C -0.479 175.789 176.300 -0.053 0.000 0.908 405 R CA 0.177 56.255 56.100 -0.036 0.000 1.023 405 R CB 0.903 31.187 30.300 -0.027 0.000 1.338 405 R HN 0.598 nan 8.270 nan 0.000 0.575 406 T N 0.566 115.075 114.554 -0.076 0.000 2.952 406 T HA 0.469 4.820 4.350 0.001 0.000 0.305 406 T C -1.196 173.410 174.700 -0.157 0.000 1.064 406 T CA -0.507 61.527 62.100 -0.111 0.000 1.008 406 T CB 2.951 71.744 68.868 -0.125 0.000 1.078 406 T HN -0.256 nan 8.240 nan 0.000 0.459 407 V N 2.858 122.676 119.914 -0.160 0.000 2.531 407 V HA 0.578 4.699 4.120 0.001 0.000 0.301 407 V C -0.569 175.399 176.094 -0.210 0.000 1.034 407 V CA -0.751 61.441 62.300 -0.181 0.000 0.865 407 V CB 2.024 33.777 31.823 -0.115 0.000 0.995 407 V HN 0.758 nan 8.190 nan 0.000 0.424 408 V N 6.103 125.846 119.914 -0.285 0.000 2.417 408 V HA 0.488 4.608 4.120 0.001 0.000 0.291 408 V C -0.255 175.729 176.094 -0.185 0.000 1.024 408 V CA -0.535 61.618 62.300 -0.245 0.000 0.861 408 V CB 1.803 33.424 31.823 -0.336 0.000 0.985 408 V HN 0.630 nan 8.190 nan 0.000 0.436 409 L N 4.868 125.993 121.223 -0.163 0.000 2.277 409 L HA 0.478 4.818 4.340 0.001 0.000 0.284 409 L C 0.039 176.781 176.870 -0.214 0.000 1.028 409 L CA -0.224 54.511 54.840 -0.175 0.000 0.835 409 L CB 1.107 43.091 42.059 -0.125 0.000 1.215 409 L HN 0.599 nan 8.230 nan 0.000 0.425 410 N N 4.278 122.758 118.700 -0.366 0.000 2.426 410 N HA 0.322 5.062 4.740 0.001 0.000 0.275 410 N C 0.046 175.423 175.510 -0.220 0.000 1.019 410 N CA -0.277 52.542 53.050 -0.385 0.000 0.941 410 N CB 1.659 39.600 38.487 -0.911 0.000 1.123 410 N HN 0.575 nan 8.380 nan 0.000 0.486 411 L N 2.498 123.652 121.223 -0.115 0.000 2.906 411 L HA 0.311 4.651 4.340 0.001 0.000 0.255 411 L C 1.939 178.796 176.870 -0.022 0.000 1.166 411 L CA -0.168 54.635 54.840 -0.062 0.000 0.977 411 L CB 0.118 42.146 42.059 -0.052 0.000 1.313 411 L HN 0.487 nan 8.230 nan 0.000 0.549 412 A N 0.771 123.588 122.820 -0.006 0.000 1.948 412 A HA -0.171 4.149 4.320 0.001 0.000 0.220 412 A C 2.258 179.863 177.584 0.034 0.000 1.177 412 A CA 1.434 53.485 52.037 0.023 0.000 0.636 412 A CB -0.258 18.770 19.000 0.047 0.000 0.815 412 A HN 0.281 nan 8.150 nan 0.000 0.449 413 R N -0.509 120.019 120.500 0.046 0.000 2.299 413 R HA 0.114 4.455 4.340 0.001 0.000 0.197 413 R C 0.054 176.371 176.300 0.028 0.000 0.971 413 R CA 0.093 56.222 56.100 0.049 0.000 1.030 413 R CB -0.652 29.692 30.300 0.074 0.000 0.932 413 R HN 0.374 nan 8.270 nan 0.000 0.477 414 V N 2.237 122.159 119.914 0.014 0.000 2.614 414 V HA -0.007 4.113 4.120 0.001 0.000 0.291 414 V C 1.179 177.279 176.094 0.010 0.000 1.049 414 V CA 0.099 62.403 62.300 0.006 0.000 1.038 414 V CB 1.459 33.278 31.823 -0.006 0.000 0.980 414 V HN 0.105 nan 8.190 nan 0.000 0.481 415 D N 3.472 123.879 120.400 0.011 0.000 2.183 415 D HA 0.066 4.706 4.640 0.001 0.000 0.205 415 D C 0.891 177.197 176.300 0.011 0.000 0.962 415 D CA 0.828 54.836 54.000 0.013 0.000 0.849 415 D CB 0.488 41.297 40.800 0.016 0.000 0.978 415 D HN 0.736 nan 8.370 nan 0.000 0.488 416 R N -0.722 119.783 120.500 0.009 0.000 2.829 416 R HA 0.525 4.865 4.340 0.001 0.000 0.283 416 R C -1.896 174.408 176.300 0.006 0.000 1.013 416 R CA -0.730 55.375 56.100 0.008 0.000 0.848 416 R CB 0.923 31.230 30.300 0.012 0.000 1.291 416 R HN 0.002 nan 8.270 nan 0.000 0.496 417 I N 1.594 122.168 120.570 0.006 0.000 2.752 417 I HA 0.320 4.491 4.170 0.001 0.000 0.295 417 I C -1.455 174.668 176.117 0.010 0.000 1.219 417 I CA -0.740 60.563 61.300 0.006 0.000 1.030 417 I CB 2.337 40.336 38.000 -0.002 0.000 1.259 417 I HN 0.913 nan 8.210 nan 0.000 0.423 418 D N 4.824 125.234 120.400 0.017 0.000 2.432 418 D HA 0.175 4.816 4.640 0.001 0.000 0.258 418 D C 0.445 176.756 176.300 0.019 0.000 1.146 418 D CA -0.184 53.828 54.000 0.020 0.000 1.015 418 D CB 0.801 41.617 40.800 0.027 0.000 1.107 418 D HN 0.468 nan 8.370 nan 0.000 0.529 419 D N -0.137 120.274 120.400 0.018 0.000 2.116 419 D HA -0.146 4.494 4.640 0.001 0.000 0.193 419 D C 2.128 178.442 176.300 0.025 0.000 0.998 419 D CA 1.266 55.276 54.000 0.016 0.000 0.836 419 D CB -0.231 40.575 40.800 0.011 0.000 0.951 419 D HN 0.233 nan 8.370 nan 0.000 0.449 420 V N 1.410 121.348 119.914 0.040 0.000 2.282 420 V HA -0.231 3.890 4.120 0.001 0.000 0.249 420 V C 2.663 178.793 176.094 0.061 0.000 1.057 420 V CA 2.199 64.540 62.300 0.068 0.000 1.032 420 V CB -1.175 30.715 31.823 0.113 0.000 0.645 420 V HN 0.261 nan 8.190 nan 0.000 0.447 421 G N -0.423 108.403 108.800 0.044 0.000 2.418 421 G HA2 -0.223 3.738 3.960 0.001 0.000 0.217 421 G HA3 -0.223 3.738 3.960 0.001 0.000 0.217 421 G C 1.706 176.605 174.900 -0.002 0.000 1.158 421 G CA 0.747 45.854 45.100 0.011 0.000 0.771 421 G HN 0.444 nan 8.290 nan 0.000 0.545 422 R N 0.665 121.166 120.500 0.003 0.000 2.088 422 R HA -0.119 4.222 4.340 0.001 0.000 0.232 422 R C 2.803 179.101 176.300 -0.004 0.000 1.136 422 R CA 1.757 57.854 56.100 -0.004 0.000 0.926 422 R CB -0.534 29.765 30.300 -0.001 0.000 0.837 422 R HN 0.502 nan 8.270 nan 0.000 0.429 423 R N 1.074 121.577 120.500 0.004 0.000 2.127 423 R HA -0.109 4.232 4.340 0.001 0.000 0.238 423 R C 2.167 178.469 176.300 0.004 0.000 1.134 423 R CA 1.448 57.551 56.100 0.005 0.000 0.975 423 R CB -0.723 29.585 30.300 0.012 0.000 0.865 423 R HN 0.215 nan 8.270 nan 0.000 0.447 424 L N 0.507 121.733 121.223 0.006 0.000 2.072 424 L HA -0.031 4.309 4.340 0.001 0.000 0.205 424 L C 2.544 179.398 176.870 -0.026 0.000 1.079 424 L CA 1.133 55.969 54.840 -0.005 0.000 0.752 424 L CB -0.302 41.748 42.059 -0.014 0.000 0.906 424 L HN 0.170 nan 8.230 nan 0.000 0.436 425 I N -0.274 120.276 120.570 -0.032 0.000 2.546 425 I HA -0.206 3.965 4.170 0.001 0.000 0.255 425 I C 2.702 178.798 176.117 -0.034 0.000 1.163 425 I CA 0.764 62.039 61.300 -0.041 0.000 1.457 425 I CB -0.295 37.678 38.000 -0.045 0.000 1.092 425 I HN 0.185 nan 8.210 nan 0.000 0.434 426 A N 0.756 123.562 122.820 -0.024 0.000 1.855 426 A HA -0.248 4.072 4.320 0.001 0.000 0.215 426 A C 2.215 179.787 177.584 -0.021 0.000 1.191 426 A CA 1.874 53.898 52.037 -0.022 0.000 0.613 426 A CB -0.565 18.426 19.000 -0.015 0.000 0.829 426 A HN 0.366 nan 8.150 nan 0.000 0.442 427 E N 0.273 120.463 120.200 -0.016 0.000 2.160 427 E HA -0.099 4.252 4.350 0.001 0.000 0.195 427 E C 1.869 178.458 176.600 -0.019 0.000 0.991 427 E CA 1.698 58.090 56.400 -0.013 0.000 0.810 427 E CB -0.807 28.890 29.700 -0.006 0.000 0.742 427 E HN 0.424 nan 8.360 nan 0.000 0.466 428 G N -0.259 108.525 108.800 -0.026 0.000 2.408 428 G HA2 -0.194 3.767 3.960 0.001 0.000 0.217 428 G HA3 -0.194 3.767 3.960 0.001 0.000 0.217 428 G C 1.685 176.565 174.900 -0.033 0.000 1.150 428 G CA 0.955 46.036 45.100 -0.032 0.000 0.776 428 G HN 0.261 nan 8.290 nan 0.000 0.542 429 V N 0.865 120.759 119.914 -0.035 0.000 2.323 429 V HA -0.119 4.001 4.120 0.001 0.000 0.244 429 V C 2.750 178.826 176.094 -0.031 0.000 1.041 429 V CA 1.927 64.204 62.300 -0.037 0.000 1.025 429 V CB -0.498 31.301 31.823 -0.039 0.000 0.656 429 V HN 0.417 nan 8.190 nan 0.000 0.451 430 R N 0.556 121.041 120.500 -0.025 0.000 2.103 430 R HA -0.209 4.131 4.340 0.001 0.000 0.242 430 R C 2.444 178.732 176.300 -0.020 0.000 1.142 430 R CA 1.957 58.044 56.100 -0.021 0.000 0.960 430 R CB -0.224 30.067 30.300 -0.016 0.000 0.858 430 R HN 0.449 nan 8.270 nan 0.000 0.439 431 R N 0.102 120.590 120.500 -0.020 0.000 2.148 431 R HA -0.084 4.257 4.340 0.001 0.000 0.223 431 R C 2.305 178.592 176.300 -0.022 0.000 1.088 431 R CA 0.799 56.888 56.100 -0.019 0.000 0.985 431 R CB -0.322 29.968 30.300 -0.017 0.000 0.880 431 R HN 0.202 nan 8.270 nan 0.000 0.451 432 L N 1.546 122.752 121.223 -0.027 0.000 2.056 432 L HA -0.153 4.187 4.340 0.001 0.000 0.207 432 L C 1.992 178.845 176.870 -0.030 0.000 1.078 432 L CA 1.759 56.581 54.840 -0.031 0.000 0.749 432 L CB -0.351 41.685 42.059 -0.039 0.000 0.901 432 L HN 0.094 nan 8.230 nan 0.000 0.433 433 Q N -0.597 119.185 119.800 -0.030 0.000 2.181 433 Q HA -0.165 4.176 4.340 0.001 0.000 0.205 433 Q C 2.164 178.151 176.000 -0.023 0.000 0.980 433 Q CA 1.437 57.224 55.803 -0.028 0.000 0.862 433 Q CB -0.430 28.292 28.738 -0.027 0.000 0.905 433 Q HN 0.670 nan 8.270 nan 0.000 0.429 434 A N 1.325 124.133 122.820 -0.020 0.000 2.070 434 A HA -0.165 4.155 4.320 0.001 0.000 0.220 434 A C 1.247 178.822 177.584 -0.016 0.000 1.159 434 A CA 1.288 53.315 52.037 -0.017 0.000 0.656 434 A CB -0.068 18.924 19.000 -0.014 0.000 0.800 434 A HN 0.203 nan 8.150 nan 0.000 0.453 435 D N -0.697 119.692 120.400 -0.018 0.000 2.319 435 D HA 0.251 4.891 4.640 0.001 0.000 0.230 435 D C 1.101 177.390 176.300 -0.018 0.000 1.094 435 D CA 0.921 54.911 54.000 -0.017 0.000 0.856 435 D CB -0.101 40.688 40.800 -0.019 0.000 0.915 435 D HN 0.547 nan 8.370 nan 0.000 0.517 436 G N 0.801 109.590 108.800 -0.019 0.000 2.225 436 G HA2 -0.247 3.714 3.960 0.001 0.000 0.264 436 G HA3 -0.247 3.714 3.960 0.001 0.000 0.264 436 G C 0.108 174.993 174.900 -0.024 0.000 1.060 436 G CA 0.004 45.092 45.100 -0.020 0.000 0.833 436 G HN 0.249 nan 8.290 nan 0.000 0.498 437 V N 0.133 120.030 119.914 -0.029 0.000 2.459 437 V HA 0.534 4.655 4.120 0.001 0.000 0.295 437 V C 0.888 176.957 176.094 -0.043 0.000 1.029 437 V CA -1.020 61.258 62.300 -0.037 0.000 0.874 437 V CB 1.822 33.621 31.823 -0.040 0.000 0.985 437 V HN 0.509 nan 8.190 nan 0.000 0.438 438 R N 3.419 123.890 120.500 -0.049 0.000 2.296 438 R HA 0.478 4.819 4.340 0.001 0.000 0.323 438 R C -1.235 175.023 176.300 -0.070 0.000 1.067 438 R CA -0.188 55.880 56.100 -0.054 0.000 0.946 438 R CB 0.771 31.039 30.300 -0.053 0.000 0.991 438 R HN 0.565 nan 8.270 nan 0.000 0.448 439 V N 4.715 124.590 119.914 -0.065 0.000 2.370 439 V HA 0.249 4.370 4.120 0.001 0.000 0.283 439 V C -0.198 175.851 176.094 -0.076 0.000 1.023 439 V CA -0.580 61.674 62.300 -0.076 0.000 0.857 439 V CB 1.380 33.165 31.823 -0.064 0.000 0.985 439 V HN 0.788 nan 8.190 nan 0.000 0.443 440 E N 3.575 123.717 120.200 -0.096 0.000 2.155 440 E HA 0.524 4.875 4.350 0.001 0.000 0.264 440 E C -1.327 175.221 176.600 -0.087 0.000 0.886 440 E CA -0.480 55.868 56.400 -0.085 0.000 0.752 440 E CB 1.832 31.476 29.700 -0.095 0.000 1.133 440 E HN 0.527 nan 8.360 nan 0.000 0.414 441 V N 4.995 124.869 119.914 -0.067 0.000 2.364 441 V HA 0.147 4.268 4.120 0.001 0.000 0.272 441 V C -0.025 176.035 176.094 -0.057 0.000 1.036 441 V CA -0.369 61.890 62.300 -0.068 0.000 0.880 441 V CB 1.215 33.005 31.823 -0.056 0.000 0.991 441 V HN 0.718 nan 8.190 nan 0.000 0.460 442 E N 3.352 123.509 120.200 -0.072 0.000 2.026 442 E HA 0.171 4.522 4.350 0.001 0.000 0.253 442 E C -0.734 175.835 176.600 -0.050 0.000 1.056 442 E CA -0.156 56.213 56.400 -0.052 0.000 0.927 442 E CB 0.508 30.174 29.700 -0.057 0.000 1.172 442 E HN 0.671 nan 8.360 nan 0.000 0.445 443 D N 3.252 123.631 120.400 -0.035 0.000 2.485 443 D HA 0.110 4.750 4.640 0.001 0.000 0.256 443 D C -1.108 175.183 176.300 -0.014 0.000 1.141 443 D CA -2.229 51.754 54.000 -0.028 0.000 0.942 443 D CB 0.828 41.611 40.800 -0.028 0.000 1.003 443 D HN 0.141 nan 8.370 nan 0.000 0.507 444 P HA -0.197 nan 4.420 nan 0.000 0.218 444 P C 0.219 177.520 177.300 0.001 0.000 1.146 444 P CA 1.346 64.447 63.100 0.001 0.000 0.820 444 P CB 0.735 32.440 31.700 0.009 0.000 0.778 445 E N -1.442 118.758 120.200 -0.001 0.000 3.419 445 E HA 0.230 4.580 4.350 0.001 0.000 0.273 445 E C 2.092 178.690 176.600 -0.002 0.000 0.962 445 E CA -0.639 55.761 56.400 0.000 0.000 1.015 445 E CB 0.305 30.007 29.700 0.003 0.000 2.979 445 E HN -0.112 nan 8.360 nan 0.000 0.568 446 R N 0.673 121.172 120.500 -0.002 0.000 2.107 446 R HA 0.308 4.648 4.340 0.001 0.000 0.195 446 R C 1.250 177.547 176.300 -0.005 0.000 1.214 446 R CA -0.376 55.722 56.100 -0.003 0.000 1.129 446 R CB -0.588 29.712 30.300 -0.000 0.000 1.045 446 R HN 0.340 nan 8.270 nan 0.000 0.489 447 I N 3.504 124.072 120.570 -0.005 0.000 3.415 447 I HA -0.324 3.846 4.170 0.001 0.000 0.361 447 I C -0.101 176.008 176.117 -0.012 0.000 1.155 447 I CA 0.975 62.271 61.300 -0.007 0.000 1.595 447 I CB 0.117 38.113 38.000 -0.008 0.000 1.239 447 I HN 0.250 nan 8.210 nan 0.000 0.463 448 L N 0.000 121.216 121.223 -0.011 0.000 2.949 448 L HA 0.000 4.340 4.340 0.001 0.000 0.249 448 L CA 0.000 54.831 54.840 -0.014 0.000 0.813 448 L CB 0.000 42.046 42.059 -0.021 0.000 0.961 448 L HN 0.000 nan 8.230 nan 0.000 0.502